1584 lines
46 KiB
Fortran
1584 lines
46 KiB
Fortran
C=======================================================================
|
|
MODULE ADSORB_MOD
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IMPLICIT NONE
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INTEGER :: IADS
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INTEGER :: NATA
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INTEGER :: NADS1
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INTEGER :: NADS2
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INTEGER :: NADS3
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REAL, ALLOCATABLE, DIMENSION(:,:) :: ADS
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INTEGER :: NCOUCH
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CONTAINS
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SUBROUTINE ALLOC_ADSORB()
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USE DIM_MOD
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IF (ALLOCATED(ADS)) THEN
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DEALLOCATE(ADS)
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ENDIF
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ALLOCATE(ADS(3,900))
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END SUBROUTINE ALLOC_ADSORB
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END MODULE ADSORB_MOD
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C=======================================================================
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MODULE APPROX_MOD
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IMPLICIT NONE
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INTEGER :: NDIF
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INTEGER :: NO
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INTEGER :: ISPHER
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INTEGER :: IFWD
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INTEGER :: NTHOUT
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REAL, ALLOCATABLE, DIMENSION(:) :: RTHFWD
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INTEGER, ALLOCATABLE, DIMENSION(:) :: IBWD
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REAL, ALLOCATABLE, DIMENSION(:) :: RTHBWD
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INTEGER :: IPW
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INTEGER :: NCUT
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REAL :: PCTINT
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INTEGER :: IPP
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INTEGER :: ISPEED
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INTEGER :: IATTS
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INTEGER :: ILENGTH
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REAL :: RLENGTH
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CONTAINS
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SUBROUTINE ALLOC_APPROX()
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USE DIM_MOD
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IF (ALLOCATED(RTHFWD)) THEN
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DEALLOCATE(RTHFWD)
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ENDIF
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ALLOCATE(RTHFWD(NATP_M))
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IF (ALLOCATED(IBWD)) THEN
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DEALLOCATE(IBWD)
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ENDIF
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ALLOCATE(IBWD(NATP_M))
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IF (ALLOCATED(RTHBWD)) THEN
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DEALLOCATE(RTHBWD)
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ENDIF
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ALLOCATE(RTHBWD(NATP_M))
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END SUBROUTINE ALLOC_APPROX
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END MODULE APPROX_MOD
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C=======================================================================
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MODULE ATOMS_MOD
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IMPLICIT NONE
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REAL, ALLOCATABLE, DIMENSION(:) :: VALZ
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REAL :: VALZ_MAX
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INTEGER, ALLOCATABLE, DIMENSION(:) :: NZAT
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INTEGER :: I_GR
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INTEGER :: I_INV
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CHARACTER*2, ALLOCATABLE, DIMENSION(:) :: CHEM
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CONTAINS
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SUBROUTINE ALLOC_ATOMS()
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USE DIM_MOD
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IF (ALLOCATED(VALZ)) THEN
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DEALLOCATE(VALZ)
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ENDIF
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ALLOCATE(VALZ(NATCLU_M))
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IF (ALLOCATED(NZAT)) THEN
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DEALLOCATE(NZAT)
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ENDIF
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ALLOCATE(NZAT(NATCLU_M))
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IF (ALLOCATED(CHEM)) THEN
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DEALLOCATE(CHEM)
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ENDIF
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ALLOCATE(CHEM(NATCLU_M))
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END SUBROUTINE ALLOC_ATOMS
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END MODULE ATOMS_MOD
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C=======================================================================
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MODULE AUGER_MOD
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IMPLICIT NONE
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INTEGER, ALLOCATABLE, DIMENSION(:) :: NLIN_A
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INTEGER, ALLOCATABLE, DIMENSION(:,:) :: L_BOUNDS
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CHARACTER*6 :: AUGER
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CONTAINS
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SUBROUTINE ALLOC_AUGER()
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USE DIM_MOD
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IF (ALLOCATED(NLIN_A)) THEN
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DEALLOCATE(NLIN_A)
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ENDIF
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ALLOCATE(NLIN_A(0:20))
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IF (ALLOCATED(L_BOUNDS)) THEN
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DEALLOCATE(L_BOUNDS)
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ENDIF
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ALLOCATE(L_BOUNDS(0:20,2))
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END SUBROUTINE ALLOC_AUGER
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END MODULE AUGER_MOD
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C=======================================================================
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MODULE BASES_MOD
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IMPLICIT NONE
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REAL, ALLOCATABLE, DIMENSION(:) :: ATBAS
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REAL, ALLOCATABLE, DIMENSION(:) :: VECBAS
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CONTAINS
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SUBROUTINE ALLOC_BASES()
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USE DIM_MOD
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IF (ALLOCATED(ATBAS)) THEN
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DEALLOCATE(ATBAS)
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ENDIF
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ALLOCATE(ATBAS(3*NATP_M))
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IF (ALLOCATED(VECBAS)) THEN
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DEALLOCATE(VECBAS)
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ENDIF
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ALLOCATE(VECBAS(9))
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END SUBROUTINE ALLOC_BASES
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END MODULE BASES_MOD
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C=======================================================================
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MODULE CLUSLIM_MOD
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IMPLICIT NONE
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REAL, ALLOCATABLE, DIMENSION(:) :: X_MAX
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REAL, ALLOCATABLE, DIMENSION(:) :: X_MIN
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REAL, ALLOCATABLE, DIMENSION(:) :: Y_MAX
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REAL, ALLOCATABLE, DIMENSION(:) :: Y_MIN
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REAL, ALLOCATABLE, DIMENSION(:) :: VAL
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INTEGER :: NPLAN
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CONTAINS
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SUBROUTINE ALLOC_CLUSLIM()
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USE DIM_MOD
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IF (ALLOCATED(X_MAX)) THEN
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DEALLOCATE(X_MAX)
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ENDIF
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ALLOCATE(X_MAX(NATCLU_M))
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IF (ALLOCATED(X_MIN)) THEN
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DEALLOCATE(X_MIN)
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ENDIF
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ALLOCATE(X_MIN(NATCLU_M))
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IF (ALLOCATED(Y_MAX)) THEN
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DEALLOCATE(Y_MAX)
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ENDIF
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ALLOCATE(Y_MAX(NATCLU_M))
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IF (ALLOCATED(Y_MIN)) THEN
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DEALLOCATE(Y_MIN)
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ENDIF
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ALLOCATE(Y_MIN(NATCLU_M))
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IF (ALLOCATED(VAL)) THEN
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DEALLOCATE(VAL)
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ENDIF
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ALLOCATE(VAL(NATCLU_M))
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END SUBROUTINE ALLOC_CLUSLIM
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END MODULE CLUSLIM_MOD
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C=======================================================================
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MODULE COOR_MOD
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IMPLICIT NONE
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INTEGER :: NATCLU
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INTEGER :: N_PROT
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INTEGER, ALLOCATABLE, DIMENSION(:) :: NATYP
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INTEGER, ALLOCATABLE, DIMENSION(:) :: NCHTYP
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INTEGER, ALLOCATABLE, DIMENSION(:,:) :: NCORR
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INTEGER, ALLOCATABLE, DIMENSION(:) :: INEW_AT
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REAL, ALLOCATABLE, DIMENSION(:,:) :: SYM_AT
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CONTAINS
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SUBROUTINE ALLOC_COOR()
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USE DIM_MOD
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IF (ALLOCATED(NATYP)) THEN
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DEALLOCATE(NATYP)
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ENDIF
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ALLOCATE(NATYP(NATM))
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IF (ALLOCATED(NCHTYP)) THEN
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DEALLOCATE(NCHTYP)
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ENDIF
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ALLOCATE(NCHTYP(NATP_M))
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IF (ALLOCATED(NCORR)) THEN
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DEALLOCATE(NCORR)
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ENDIF
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ALLOCATE(NCORR(NAT_EQ_M,NATP_M))
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IF (ALLOCATED(INEW_AT)) THEN
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DEALLOCATE(INEW_AT)
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ENDIF
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ALLOCATE(INEW_AT(NATCLU_M))
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IF (ALLOCATED(SYM_AT)) THEN
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DEALLOCATE(SYM_AT)
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ENDIF
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ALLOCATE(SYM_AT(3,NATCLU_M))
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END SUBROUTINE ALLOC_COOR
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END MODULE COOR_MOD
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C=======================================================================
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MODULE DEBWAL_MOD
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IMPLICIT NONE
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INTEGER :: IDCM
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INTEGER :: IDWSPH
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REAL :: TD
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REAL :: QD
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REAL :: TEMP
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REAL :: RSJ
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REAL, ALLOCATABLE, DIMENSION(:) :: UJ2
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CONTAINS
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SUBROUTINE ALLOC_DEBWAL()
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USE DIM_MOD
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IF (ALLOCATED(UJ2)) THEN
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DEALLOCATE(UJ2)
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ENDIF
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ALLOCATE(UJ2(NATM))
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END SUBROUTINE ALLOC_DEBWAL
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END MODULE DEBWAL_MOD
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C=======================================================================
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MODULE INDAT_MOD
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IMPLICIT NONE
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CHARACTER*24, ALLOCATABLE, DIMENSION(:) :: INDATA
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CONTAINS
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SUBROUTINE ALLOC_INDAT()
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USE DIM_MOD
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IF (ALLOCATED(INDATA)) THEN
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DEALLOCATE(INDATA)
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ENDIF
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ALLOCATE(INDATA(100))
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END SUBROUTINE ALLOC_INDAT
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END MODULE INDAT_MOD
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C=======================================================================
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MODULE INIT_A_MOD
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IMPLICIT NONE
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INTEGER :: LI_C
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INTEGER :: LI_I
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INTEGER :: LI_A
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CONTAINS
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SUBROUTINE ALLOC_INIT_A()
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USE DIM_MOD
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END SUBROUTINE ALLOC_INIT_A
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END MODULE INIT_A_MOD
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C=======================================================================
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MODULE INIT_L_MOD
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IMPLICIT NONE
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INTEGER :: LI
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INTEGER :: INITL
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INTEGER :: NNL
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INTEGER :: LF1
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INTEGER :: LF2
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INTEGER :: ISTEP_LF
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CONTAINS
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SUBROUTINE ALLOC_INIT_L()
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USE DIM_MOD
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END SUBROUTINE ALLOC_INIT_L
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END MODULE INIT_L_MOD
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C=======================================================================
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MODULE INIT_J_MOD
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IMPLICIT NONE
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INTEGER :: JF1
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INTEGER :: JF2
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INTEGER :: I_SO
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CHARACTER*3 :: S_O
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CONTAINS
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SUBROUTINE ALLOC_INIT_J()
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USE DIM_MOD
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END SUBROUTINE ALLOC_INIT_J
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END MODULE INIT_J_MOD
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C=======================================================================
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MODULE INIT_M_MOD
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IMPLICIT NONE
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INTEGER :: I_SHELL
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INTEGER :: I_MULT
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INTEGER :: L_MUL
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INTEGER :: J_MUL
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INTEGER :: S_MUL
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CHARACTER*3 :: MULTIPLET
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CONTAINS
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SUBROUTINE ALLOC_INIT_M()
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USE DIM_MOD
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END SUBROUTINE ALLOC_INIT_M
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END MODULE INIT_M_MOD
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C=======================================================================
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MODULE INFILES_MOD
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IMPLICIT NONE
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CHARACTER*24 :: INFILE1
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CHARACTER*24 :: INFILE2
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CHARACTER*24 :: INFILE3
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CHARACTER*24 :: INFILE4
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CHARACTER*24 :: INFILE5
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CHARACTER*24 :: INFILE6
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CHARACTER*24 :: INFILE7
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CHARACTER*24 :: INFILE8
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CHARACTER*24 :: INFILE9
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CONTAINS
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SUBROUTINE ALLOC_INFILES()
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USE DIM_MOD
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END SUBROUTINE ALLOC_INFILES
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END MODULE INFILES_MOD
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C=======================================================================
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MODULE INUNITS_MOD
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IMPLICIT NONE
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INTEGER :: IUI1
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INTEGER :: IUI2
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INTEGER :: IUI3
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INTEGER :: IUI4
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INTEGER :: IUI5
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INTEGER :: IUI6
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INTEGER :: IUI7
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INTEGER :: IUI8
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INTEGER :: IUI9
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CONTAINS
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SUBROUTINE ALLOC_INUNITS()
|
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USE DIM_MOD
|
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END SUBROUTINE ALLOC_INUNITS
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END MODULE INUNITS_MOD
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C=======================================================================
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MODULE LIMAMA_MOD
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IMPLICIT NONE
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INTEGER :: NIV
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REAL :: COUPUR
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CONTAINS
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SUBROUTINE ALLOC_LIMAMA()
|
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USE DIM_MOD
|
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END SUBROUTINE ALLOC_LIMAMA
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END MODULE LIMAMA_MOD
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C=======================================================================
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MODULE LPMOY_MOD
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IMPLICIT NONE
|
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INTEGER :: ILPM
|
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INTEGER :: NZA
|
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REAL :: XMTA
|
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REAL :: RHOTA
|
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REAL :: XLPM0
|
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CONTAINS
|
|
SUBROUTINE ALLOC_LPMOY()
|
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USE DIM_MOD
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END SUBROUTINE ALLOC_LPMOY
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END MODULE LPMOY_MOD
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|
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C=======================================================================
|
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MODULE MASSAT_MOD
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IMPLICIT NONE
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REAL, ALLOCATABLE, DIMENSION(:) :: XMT
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CONTAINS
|
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SUBROUTINE ALLOC_MASSAT()
|
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USE DIM_MOD
|
|
IF (ALLOCATED(XMT)) THEN
|
|
DEALLOCATE(XMT)
|
|
ENDIF
|
|
ALLOCATE(XMT(NATM))
|
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END SUBROUTINE ALLOC_MASSAT
|
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END MODULE MASSAT_MOD
|
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|
|
C=======================================================================
|
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MODULE MILLER_MOD
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IMPLICIT NONE
|
|
INTEGER :: IH
|
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INTEGER :: IK
|
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INTEGER :: II
|
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INTEGER :: IL
|
|
INTEGER :: IVG0
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: IVN
|
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CONTAINS
|
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SUBROUTINE ALLOC_MILLER()
|
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USE DIM_MOD
|
|
IF (ALLOCATED(IVN)) THEN
|
|
DEALLOCATE(IVN)
|
|
ENDIF
|
|
ALLOCATE(IVN(3))
|
|
END SUBROUTINE ALLOC_MILLER
|
|
END MODULE MILLER_MOD
|
|
|
|
C=======================================================================
|
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MODULE OUTUNITS_MOD
|
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IMPLICIT NONE
|
|
INTEGER :: IUO1
|
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INTEGER :: IUO2
|
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INTEGER :: IUO3
|
|
INTEGER :: IUO4
|
|
INTEGER :: IUSCR
|
|
INTEGER :: IUSCR2
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_OUTUNITS()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_OUTUNITS
|
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END MODULE OUTUNITS_MOD
|
|
|
|
C=======================================================================
|
|
MODULE PARCAL_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NPHI
|
|
INTEGER :: NE
|
|
INTEGER :: NTHETA
|
|
INTEGER :: NFTHET
|
|
INTEGER :: NEPS
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_PARCAL()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_PARCAL
|
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END MODULE PARCAL_MOD
|
|
|
|
C=======================================================================
|
|
MODULE PARCAL_A_MOD
|
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IMPLICIT NONE
|
|
INTEGER :: NPHI_A
|
|
INTEGER :: NE_A
|
|
INTEGER :: NTHETA_A
|
|
INTEGER :: NFTHET_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_PARCAL_A()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_PARCAL_A
|
|
END MODULE PARCAL_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE RELADS_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NRELA
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: PCRELA
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_RELADS()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(PCRELA)) THEN
|
|
DEALLOCATE(PCRELA)
|
|
ENDIF
|
|
ALLOCATE(PCRELA(3))
|
|
END SUBROUTINE ALLOC_RELADS
|
|
END MODULE RELADS_MOD
|
|
|
|
C=======================================================================
|
|
MODULE RELAX_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: IREL
|
|
INTEGER :: NREL
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: PCREL
|
|
REAL :: OMEGA1
|
|
REAL :: OMEGA2
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_RELAX()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(PCREL)) THEN
|
|
DEALLOCATE(PCREL)
|
|
ENDIF
|
|
ALLOCATE(PCREL(10))
|
|
END SUBROUTINE ALLOC_RELAX
|
|
END MODULE RELAX_MOD
|
|
|
|
C=======================================================================
|
|
MODULE RESEAU_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NCRIST
|
|
INTEGER :: NCENTR
|
|
INTEGER :: IBAS
|
|
INTEGER :: NAT
|
|
REAL :: A
|
|
REAL :: BSURA
|
|
REAL :: CSURA
|
|
CHARACTER*3 :: UNIT
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_RESEAU()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_RESEAU
|
|
END MODULE RESEAU_MOD
|
|
|
|
C=======================================================================
|
|
MODULE SPIN_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: ISPIN
|
|
INTEGER :: IDICHR
|
|
INTEGER :: NSPIN
|
|
INTEGER :: NSPIN2
|
|
INTEGER :: ISFLIP
|
|
INTEGER :: IR_DIA
|
|
INTEGER :: NSTEP
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_SPIN()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_SPIN
|
|
END MODULE SPIN_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TESTS_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: ITEST
|
|
INTEGER :: IPRINT
|
|
INTEGER :: ISORT1
|
|
INTEGER :: NPATHP
|
|
INTEGER :: ISOM
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TESTS()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_TESTS
|
|
END MODULE TESTS_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TRANS_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:,:,:) :: DLT
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:,:,:) :: TL
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: VK
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: VK2
|
|
INTEGER :: IPOTC
|
|
INTEGER :: ITL
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: LMAX
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TRANS()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DLT)) THEN
|
|
DEALLOCATE(DLT)
|
|
ENDIF
|
|
ALLOCATE(DLT(NE_M,NATM,0:18,2))
|
|
IF (ALLOCATED(TL)) THEN
|
|
DEALLOCATE(TL)
|
|
ENDIF
|
|
ALLOCATE(TL(0:NT_M,4,NATM,NE_M))
|
|
IF (ALLOCATED(VK)) THEN
|
|
DEALLOCATE(VK)
|
|
ENDIF
|
|
ALLOCATE(VK(NE_M))
|
|
IF (ALLOCATED(VK2)) THEN
|
|
DEALLOCATE(VK2)
|
|
ENDIF
|
|
ALLOCATE(VK2(NE_M))
|
|
IF (ALLOCATED(LMAX)) THEN
|
|
DEALLOCATE(LMAX)
|
|
ENDIF
|
|
ALLOCATE(LMAX(NATM,NE_M))
|
|
END SUBROUTINE ALLOC_TRANS
|
|
END MODULE TRANS_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TL_AED_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:,:,:) :: DLT_A
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:,:,:) :: TL_A
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: VK_A
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: VK2_A
|
|
INTEGER :: IPOTC_A
|
|
INTEGER :: ITL_A
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: LMAX_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TL_AED()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DLT_A)) THEN
|
|
DEALLOCATE(DLT_A)
|
|
ENDIF
|
|
ALLOCATE(DLT_A(NE_M,NATM,0:18,2))
|
|
IF (ALLOCATED(TL_A)) THEN
|
|
DEALLOCATE(TL_A)
|
|
ENDIF
|
|
ALLOCATE(TL_A(0:NT_M,4,NATM,NE_M))
|
|
IF (ALLOCATED(VK_A)) THEN
|
|
DEALLOCATE(VK_A)
|
|
ENDIF
|
|
ALLOCATE(VK_A(NE_M))
|
|
IF (ALLOCATED(VK2_A)) THEN
|
|
DEALLOCATE(VK2_A)
|
|
ENDIF
|
|
ALLOCATE(VK2_A(NE_M))
|
|
IF (ALLOCATED(LMAX_A)) THEN
|
|
DEALLOCATE(LMAX_A)
|
|
ENDIF
|
|
ALLOCATE(LMAX_A(NATM,NE_M))
|
|
END SUBROUTINE ALLOC_TL_AED
|
|
END MODULE TL_AED_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TYPCAL_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: IPHI
|
|
INTEGER :: IE
|
|
INTEGER :: ITHETA
|
|
INTEGER :: IFTHET
|
|
INTEGER :: IMOD
|
|
INTEGER :: IPOL
|
|
INTEGER :: I_CP
|
|
INTEGER :: I_EXT
|
|
INTEGER :: I_TEST
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TYPCAL()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_TYPCAL
|
|
END MODULE TYPCAL_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TYPCAL_A_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: IPHI_A
|
|
INTEGER :: IE_A
|
|
INTEGER :: ITHETA_A
|
|
INTEGER :: IFTHET_A
|
|
INTEGER :: IMOD_A
|
|
INTEGER :: I_CP_A
|
|
INTEGER :: I_EXT_A
|
|
INTEGER :: I_TEST_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TYPCAL_A()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_TYPCAL_A
|
|
END MODULE TYPCAL_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TYPEM_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NEMET
|
|
INTEGER :: IESURF
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: IEMET
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TYPEM()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(IEMET)) THEN
|
|
DEALLOCATE(IEMET)
|
|
ENDIF
|
|
ALLOCATE(IEMET(NEMET_M))
|
|
END SUBROUTINE ALLOC_TYPEM
|
|
END MODULE TYPEM_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TYPEXP_MOD
|
|
IMPLICIT NONE
|
|
CHARACTER*3 :: SPECTRO
|
|
CHARACTER*7 :: INTERACT
|
|
CHARACTER*3 :: STEREO
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TYPEXP()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_TYPEXP
|
|
END MODULE TYPEXP_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VALIN_MOD
|
|
IMPLICIT NONE
|
|
REAL :: PHI0
|
|
REAL :: E0
|
|
REAL :: THETA0
|
|
REAL :: THLUM
|
|
REAL :: PHILUM
|
|
REAL :: ELUM
|
|
REAL :: VINT
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: NONVOL
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VALIN()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(NONVOL)) THEN
|
|
DEALLOCATE(NONVOL)
|
|
ENDIF
|
|
ALLOCATE(NONVOL(100))
|
|
END SUBROUTINE ALLOC_VALIN
|
|
END MODULE VALIN_MOD
|
|
|
|
C=======================================================================
|
|
MODULE XMRHO_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: XMAT
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: RHOAT
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_XMRHO()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(XMAT)) THEN
|
|
DEALLOCATE(XMAT)
|
|
ENDIF
|
|
ALLOCATE(XMAT(0:99))
|
|
IF (ALLOCATED(RHOAT)) THEN
|
|
DEALLOCATE(RHOAT)
|
|
ENDIF
|
|
ALLOCATE(RHOAT(0:99))
|
|
END SUBROUTINE ALLOC_XMRHO
|
|
END MODULE XMRHO_MOD
|
|
|
|
C=======================================================================
|
|
MODULE CRANGL_MOD
|
|
IMPLICIT NONE
|
|
REAL :: ALPHAD
|
|
REAL :: BETAD
|
|
REAL :: GAMMAD
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_CRANGL()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_CRANGL
|
|
END MODULE CRANGL_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VECSYS_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: ASYS
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: BSYS
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: CSYS
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VECSYS()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(ASYS)) THEN
|
|
DEALLOCATE(ASYS)
|
|
ENDIF
|
|
ALLOCATE(ASYS(3))
|
|
IF (ALLOCATED(BSYS)) THEN
|
|
DEALLOCATE(BSYS)
|
|
ENDIF
|
|
ALLOCATE(BSYS(3))
|
|
IF (ALLOCATED(CSYS)) THEN
|
|
DEALLOCATE(CSYS)
|
|
ENDIF
|
|
ALLOCATE(CSYS(3))
|
|
END SUBROUTINE ALLOC_VECSYS
|
|
END MODULE VECSYS_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VIBRAT_MOD
|
|
IMPLICIT NONE
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: I_FREE
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VIBRAT()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(I_FREE)) THEN
|
|
DEALLOCATE(I_FREE)
|
|
ENDIF
|
|
ALLOCATE(I_FREE(NATP_M))
|
|
END SUBROUTINE ALLOC_VIBRAT
|
|
END MODULE VIBRAT_MOD
|
|
|
|
C=======================================================================
|
|
MODULE COEFRLM_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:,:) :: CF
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_COEFRLM()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(CF)) THEN
|
|
DEALLOCATE(CF)
|
|
ENDIF
|
|
ALLOCATE(CF(0:2*NL_M-2,0:2*NL_M-2,0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_COEFRLM
|
|
END MODULE COEFRLM_MOD
|
|
|
|
C=======================================================================
|
|
MODULE EXPROT_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: EXPR
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_EXPROT()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(EXPR)) THEN
|
|
DEALLOCATE(EXPR)
|
|
ENDIF
|
|
ALLOCATE(EXPR(0:2*NL_M-2,0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_EXPROT
|
|
END MODULE EXPROT_MOD
|
|
|
|
C=======================================================================
|
|
MODULE EXPFAC_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: EXPF
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_EXPFAC()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(EXPF)) THEN
|
|
DEALLOCATE(EXPF)
|
|
ENDIF
|
|
ALLOCATE(EXPF(0:2*NL_M-2,0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_EXPFAC
|
|
END MODULE EXPFAC_MOD
|
|
|
|
C=======================================================================
|
|
MODULE DEXPFAC_MOD
|
|
IMPLICIT NONE
|
|
REAL*8, ALLOCATABLE, DIMENSION(:,:) :: DEXPF
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_DEXPFAC()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DEXPF)) THEN
|
|
DEALLOCATE(DEXPF)
|
|
ENDIF
|
|
ALLOCATE(DEXPF(0:2*NL_M-2,0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_DEXPFAC
|
|
END MODULE DEXPFAC_MOD
|
|
|
|
C=======================================================================
|
|
MODULE LOGAMAD_MOD
|
|
IMPLICIT NONE
|
|
DOUBLE PRECISION, ALLOCATABLE, DIMENSION(:,:) :: GLD
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_LOGAMAD()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(GLD)) THEN
|
|
DEALLOCATE(GLD)
|
|
ENDIF
|
|
ALLOCATE(GLD(0:N_GAUNT,2))
|
|
END SUBROUTINE ALLOC_LOGAMAD
|
|
END MODULE LOGAMAD_MOD
|
|
|
|
C=======================================================================
|
|
MODULE EXPFAC2_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: EXPF2
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_EXPFAC2()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(EXPF2)) THEN
|
|
DEALLOCATE(EXPF2)
|
|
ENDIF
|
|
ALLOCATE(EXPF2(0:2*NL_M-2,0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_EXPFAC2
|
|
END MODULE EXPFAC2_MOD
|
|
|
|
C=======================================================================
|
|
MODULE FACTSQ_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: FSQ
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_FACTSQ()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(FSQ)) THEN
|
|
DEALLOCATE(FSQ)
|
|
ENDIF
|
|
ALLOCATE(FSQ(0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_FACTSQ
|
|
END MODULE FACTSQ_MOD
|
|
|
|
C=======================================================================
|
|
MODULE ALGORITHM_MOD
|
|
IMPLICIT NONE
|
|
CHARACTER*2 :: ALGO1
|
|
CHARACTER*2 :: ALGO2
|
|
CHARACTER*2 :: ALGO3
|
|
CHARACTER*2 :: ALGO4
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_ALGORITHM()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_ALGORITHM
|
|
END MODULE ALGORITHM_MOD
|
|
|
|
C=======================================================================
|
|
MODULE EXAFS_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NE_X
|
|
REAL :: EK_INI
|
|
REAL :: EK_FIN
|
|
REAL :: EPH_INI
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_EXAFS()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_EXAFS
|
|
END MODULE EXAFS_MOD
|
|
|
|
C=======================================================================
|
|
MODULE HEADER_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NI
|
|
CHARACTER*1 :: NLI
|
|
CHARACTER*6 :: AUGER
|
|
CHARACTER*1 :: EDGE
|
|
INTEGER :: NEDGE
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_HEADER()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_HEADER
|
|
END MODULE HEADER_MOD
|
|
|
|
C=======================================================================
|
|
MODULE MOYEN_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: IMOY
|
|
INTEGER :: NDIR
|
|
REAL :: ACCEPT
|
|
INTEGER :: ICHKDIR
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_MOYEN()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_MOYEN
|
|
END MODULE MOYEN_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VALIN_AV_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: I_SET
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: TH_0
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: PH_0
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VALIN_AV()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(TH_0)) THEN
|
|
DEALLOCATE(TH_0)
|
|
ENDIF
|
|
ALLOCATE(TH_0(NTH_M))
|
|
IF (ALLOCATED(PH_0)) THEN
|
|
DEALLOCATE(PH_0)
|
|
ENDIF
|
|
ALLOCATE(PH_0(NPH_M))
|
|
END SUBROUTINE ALLOC_VALIN_AV
|
|
END MODULE VALIN_AV_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VALFIN_MOD
|
|
IMPLICIT NONE
|
|
REAL :: PHI1
|
|
REAL :: EFIN
|
|
REAL :: THETA1
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VALFIN()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_VALFIN
|
|
END MODULE VALFIN_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VALEX_A_MOD
|
|
IMPLICIT NONE
|
|
REAL :: PHI0_A
|
|
REAL :: THETA0_A
|
|
REAL :: PHI1_A
|
|
REAL :: THETA1_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VALEX_A()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_VALEX_A
|
|
END MODULE VALEX_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE AMPLI_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: I_AMP
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_AMPLI()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_AMPLI
|
|
END MODULE AMPLI_MOD
|
|
|
|
C=======================================================================
|
|
MODULE CONVACC_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX*16 :: ALPHA
|
|
COMPLEX*16 :: BETA
|
|
INTEGER :: I_XN
|
|
INTEGER :: I_VA
|
|
INTEGER :: I_GN
|
|
INTEGER :: I_WN
|
|
INTEGER :: LEVIN
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_CONVACC()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_CONVACC
|
|
END MODULE CONVACC_MOD
|
|
|
|
C=======================================================================
|
|
MODULE CONVTYP_MOD
|
|
IMPLICIT NONE
|
|
REAL*8 :: SHIFT
|
|
REAL*8 :: ACC
|
|
REAL*8 :: EXPO
|
|
INTEGER :: I_PWM
|
|
INTEGER :: I_ACC
|
|
INTEGER :: N_ONE
|
|
INTEGER :: N_MAX
|
|
INTEGER :: N_ITER
|
|
INTEGER :: N_TABLE
|
|
CHARACTER*4 :: METHOD
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_CONVTYP()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_CONVTYP
|
|
END MODULE CONVTYP_MOD
|
|
|
|
C=======================================================================
|
|
MODULE C_G_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:,:) :: CG
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_C_G()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(CG)) THEN
|
|
DEALLOCATE(CG)
|
|
ENDIF
|
|
ALLOCATE(CG(-LI_M:LI_M+1,2,2))
|
|
END SUBROUTINE ALLOC_C_G
|
|
END MODULE C_G_MOD
|
|
|
|
C=======================================================================
|
|
MODULE C_G_A_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:,:,:,:) :: CGA
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_C_G_A()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(CGA)) THEN
|
|
DEALLOCATE(CGA)
|
|
ENDIF
|
|
ALLOCATE(CGA(0:NCG_M,-NCG_M:NCG_M,0:NCG_M,-NCG_M:NCG_M,0:
|
|
& 2*NCG_M))
|
|
END SUBROUTINE ALLOC_C_G_A
|
|
END MODULE C_G_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE C_G_M_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:,:) :: CG_S
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_C_G_M()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(CG_S)) THEN
|
|
DEALLOCATE(CG_S)
|
|
ENDIF
|
|
ALLOCATE(CG_S(2,2,2))
|
|
END SUBROUTINE ALLOC_C_G_M
|
|
END MODULE C_G_M_MOD
|
|
|
|
C=======================================================================
|
|
MODULE DEXPFAC2_MOD
|
|
IMPLICIT NONE
|
|
REAL*8, ALLOCATABLE, DIMENSION(:,:) :: DEXPF2
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_DEXPFAC2()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DEXPF2)) THEN
|
|
DEALLOCATE(DEXPF2)
|
|
ENDIF
|
|
ALLOCATE(DEXPF2(0:2*NL_M-2,0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_DEXPFAC2
|
|
END MODULE DEXPFAC2_MOD
|
|
|
|
C=======================================================================
|
|
MODULE DFACTSQ_MOD
|
|
IMPLICIT NONE
|
|
REAL*8, ALLOCATABLE, DIMENSION(:) :: DFSQ
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_DFACTSQ()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DFSQ)) THEN
|
|
DEALLOCATE(DFSQ)
|
|
ENDIF
|
|
ALLOCATE(DFSQ(0:2*NL_M-2))
|
|
END SUBROUTINE ALLOC_DFACTSQ
|
|
END MODULE DFACTSQ_MOD
|
|
|
|
C=======================================================================
|
|
MODULE EIGEN_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: NE_EIG
|
|
REAL :: E0_EIG
|
|
REAL :: EFIN_EIG
|
|
INTEGER :: I_VIB
|
|
INTEGER :: I_MFP
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_EIGEN()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_EIGEN
|
|
END MODULE EIGEN_MOD
|
|
|
|
C=======================================================================
|
|
MODULE FDIF_MOD
|
|
IMPLICIT NONE
|
|
REAL :: R1
|
|
REAL :: R2
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_FDIF()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_FDIF
|
|
END MODULE FDIF_MOD
|
|
|
|
C=======================================================================
|
|
MODULE FIXSCAN_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: N_FIXED
|
|
INTEGER :: N_SCAN
|
|
INTEGER :: IPH_1
|
|
REAL :: FIX0
|
|
REAL :: FIX1
|
|
REAL :: SCAN0
|
|
REAL :: SCAN1
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_FIXSCAN()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_FIXSCAN
|
|
END MODULE FIXSCAN_MOD
|
|
|
|
C=======================================================================
|
|
MODULE FIXSCAN_A_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: N_FIXED_A
|
|
INTEGER :: N_SCAN_A
|
|
INTEGER :: IPH_1_A
|
|
REAL :: FIX0_A
|
|
REAL :: FIX1_A
|
|
REAL :: SCAN0_A
|
|
REAL :: SCAN1_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_FIXSCAN_A()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_FIXSCAN_A
|
|
END MODULE FIXSCAN_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE LINLBD_MOD
|
|
IMPLICIT NONE
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: LBD
|
|
INTEGER :: LBDMAX
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: NUMAX
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_LINLBD()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(LBD)) THEN
|
|
DEALLOCATE(LBD)
|
|
ENDIF
|
|
ALLOCATE(LBD(-N_MU_M:N_MU_M,0:N_NU_M))
|
|
IF (ALLOCATED(NUMAX)) THEN
|
|
DEALLOCATE(NUMAX)
|
|
ENDIF
|
|
ALLOCATE(NUMAX(NATP_M))
|
|
END SUBROUTINE ALLOC_LINLBD
|
|
END MODULE LINLBD_MOD
|
|
|
|
C=======================================================================
|
|
MODULE MOYEN_A_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: IMOY_A
|
|
INTEGER :: NDIR_A
|
|
REAL :: ACCEPT_A
|
|
INTEGER :: ICHKDIR_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_MOYEN_A()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_MOYEN_A
|
|
END MODULE MOYEN_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE OUTFILES_MOD
|
|
IMPLICIT NONE
|
|
CHARACTER*24 :: OUTFILE1
|
|
CHARACTER*24 :: OUTFILE2
|
|
CHARACTER*24 :: OUTFILE3
|
|
CHARACTER*24 :: OUTFILE4
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_OUTFILES()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_OUTFILES
|
|
END MODULE OUTFILES_MOD
|
|
|
|
C=======================================================================
|
|
MODULE RA_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: I_NO
|
|
INTEGER :: I_RA
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: N_RA
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_RA()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(N_RA)) THEN
|
|
DEALLOCATE(N_RA)
|
|
ENDIF
|
|
ALLOCATE(N_RA(NATP_M))
|
|
END SUBROUTINE ALLOC_RA
|
|
END MODULE RA_MOD
|
|
|
|
C=======================================================================
|
|
MODULE SPECTRUM_MOD
|
|
IMPLICIT NONE
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: I_SPECTRUM
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_SPECTRUM()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(I_SPECTRUM)) THEN
|
|
DEALLOCATE(I_SPECTRUM)
|
|
ENDIF
|
|
ALLOCATE(I_SPECTRUM(NE_M))
|
|
END SUBROUTINE ALLOC_SPECTRUM
|
|
END MODULE SPECTRUM_MOD
|
|
|
|
C=======================================================================
|
|
MODULE DIRECT_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: DIRANA
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: ANADIR
|
|
REAL :: RTHEXT
|
|
REAL :: RPHI
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: THETAR
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: PHIR
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_DIRECT()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DIRANA)) THEN
|
|
DEALLOCATE(DIRANA)
|
|
ENDIF
|
|
ALLOCATE(DIRANA(3,49))
|
|
IF (ALLOCATED(ANADIR)) THEN
|
|
DEALLOCATE(ANADIR)
|
|
ENDIF
|
|
ALLOCATE(ANADIR(3,49))
|
|
IF (ALLOCATED(THETAR)) THEN
|
|
DEALLOCATE(THETAR)
|
|
ENDIF
|
|
ALLOCATE(THETAR(49))
|
|
IF (ALLOCATED(PHIR)) THEN
|
|
DEALLOCATE(PHIR)
|
|
ENDIF
|
|
ALLOCATE(PHIR(49))
|
|
END SUBROUTINE ALLOC_DIRECT
|
|
END MODULE DIRECT_MOD
|
|
|
|
C=======================================================================
|
|
MODULE DIRECT_A_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: DIRANA_A
|
|
REAL, ALLOCATABLE, DIMENSION(:,:) :: ANADIR_A
|
|
REAL :: RTHEXT_A
|
|
REAL :: RPHI_A
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: THETAR_A
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: PHIR_A
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_DIRECT_A()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(DIRANA_A)) THEN
|
|
DEALLOCATE(DIRANA_A)
|
|
ENDIF
|
|
ALLOCATE(DIRANA_A(3,49))
|
|
IF (ALLOCATED(ANADIR_A)) THEN
|
|
DEALLOCATE(ANADIR_A)
|
|
ENDIF
|
|
ALLOCATE(ANADIR_A(3,49))
|
|
IF (ALLOCATED(THETAR_A)) THEN
|
|
DEALLOCATE(THETAR_A)
|
|
ENDIF
|
|
ALLOCATE(THETAR_A(49))
|
|
IF (ALLOCATED(PHIR_A)) THEN
|
|
DEALLOCATE(PHIR_A)
|
|
ENDIF
|
|
ALLOCATE(PHIR_A(49))
|
|
END SUBROUTINE ALLOC_DIRECT_A
|
|
END MODULE DIRECT_A_MOD
|
|
|
|
C=======================================================================
|
|
MODULE PATH_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: NPATH
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: NPATH2
|
|
INTEGER :: NTHOF
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: NPMA
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: NPMI
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_PATH()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(NPATH)) THEN
|
|
DEALLOCATE(NPATH)
|
|
ENDIF
|
|
ALLOCATE(NPATH(0:NDIF_M))
|
|
IF (ALLOCATED(NPATH2)) THEN
|
|
DEALLOCATE(NPATH2)
|
|
ENDIF
|
|
ALLOCATE(NPATH2(0:NDIF_M))
|
|
IF (ALLOCATED(NPMA)) THEN
|
|
DEALLOCATE(NPMA)
|
|
ENDIF
|
|
ALLOCATE(NPMA(0:NDIF_M))
|
|
IF (ALLOCATED(NPMI)) THEN
|
|
DEALLOCATE(NPMI)
|
|
ENDIF
|
|
ALLOCATE(NPMI(0:NDIF_M))
|
|
END SUBROUTINE ALLOC_PATH
|
|
END MODULE PATH_MOD
|
|
|
|
C=======================================================================
|
|
MODULE ROT_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:,:,:) :: RLM01
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_ROT()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(RLM01)) THEN
|
|
DEALLOCATE(RLM01)
|
|
ENDIF
|
|
ALLOCATE(RLM01(1-NL_M:NL_M-1,1-NL_M:NL_M-1,0:NL_M-1))
|
|
END SUBROUTINE ALLOC_ROT
|
|
END MODULE ROT_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TESTPA_MOD
|
|
IMPLICIT NONE
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: IT
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: IN
|
|
INTEGER :: IJ
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TESTPA()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(IT)) THEN
|
|
DEALLOCATE(IT)
|
|
ENDIF
|
|
ALLOCATE(IT(0:NDIF_M))
|
|
IF (ALLOCATED(IN)) THEN
|
|
DEALLOCATE(IN)
|
|
ENDIF
|
|
ALLOCATE(IN(0:NDIF_M))
|
|
END SUBROUTINE ALLOC_TESTPA
|
|
END MODULE TESTPA_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TESTPB_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX :: RHO01
|
|
REAL :: TH01
|
|
REAL :: PHI01
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TESTPB()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_TESTPB
|
|
END MODULE TESTPB_MOD
|
|
|
|
C=======================================================================
|
|
MODULE TLDW_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:,:,:) :: TLT
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TLDW()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(TLT)) THEN
|
|
DEALLOCATE(TLT)
|
|
ENDIF
|
|
ALLOCATE(TLT(0:NT_M,4,NATM,NE_M))
|
|
END SUBROUTINE ALLOC_TLDW
|
|
END MODULE TLDW_MOD
|
|
|
|
C=======================================================================
|
|
MODULE VARIA_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: CEX
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: CEXDW
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: DW
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_VARIA()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(CEX)) THEN
|
|
DEALLOCATE(CEX)
|
|
ENDIF
|
|
ALLOCATE(CEX(0:NDIF_M))
|
|
IF (ALLOCATED(CEXDW)) THEN
|
|
DEALLOCATE(CEXDW)
|
|
ENDIF
|
|
ALLOCATE(CEXDW(0:NDIF_M))
|
|
IF (ALLOCATED(DW)) THEN
|
|
DEALLOCATE(DW)
|
|
ENDIF
|
|
ALLOCATE(DW(0:NDIF_M))
|
|
END SUBROUTINE ALLOC_VARIA
|
|
END MODULE VARIA_MOD
|
|
|
|
C=======================================================================
|
|
MODULE LBD_MOD
|
|
IMPLICIT NONE
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: LBDM
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_LBD()
|
|
USE DIM_MOD
|
|
INTEGER I, J
|
|
IF (ALLOCATED(LBDM)) THEN
|
|
DEALLOCATE(LBDM)
|
|
ENDIF
|
|
ALLOCATE(LBDM(2,NDIF_M))
|
|
DO I=1,NDIF_M
|
|
DO J=1,2
|
|
LBDM(J,I) = 0
|
|
ENDDO
|
|
ENDDO
|
|
END SUBROUTINE ALLOC_LBD
|
|
END MODULE LBD_MOD
|
|
|
|
C=======================================================================
|
|
MODULE SCATMAT_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:,:,:) :: F21
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_SCATMAT()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(F21)) THEN
|
|
DEALLOCATE(F21)
|
|
ENDIF
|
|
ALLOCATE(F21(NSPIN2_M,NLAMBDA_M,NLAMBDA_M,NDIF_M))
|
|
END SUBROUTINE ALLOC_SCATMAT
|
|
END MODULE SCATMAT_MOD
|
|
|
|
C=======================================================================
|
|
MODULE EXTREM_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: FMIN
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: FMAX
|
|
INTEGER :: IREF
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_EXTREM()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(FMIN)) THEN
|
|
DEALLOCATE(FMIN)
|
|
ENDIF
|
|
ALLOCATE(FMIN(0:NDIF_M))
|
|
IF (ALLOCATED(FMAX)) THEN
|
|
DEALLOCATE(FMAX)
|
|
ENDIF
|
|
ALLOCATE(FMAX(0:NDIF_M))
|
|
END SUBROUTINE ALLOC_EXTREM
|
|
END MODULE EXTREM_MOD
|
|
|
|
C=======================================================================
|
|
MODULE PRINTP_MOD
|
|
IMPLICIT NONE
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: FMN
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: PATH
|
|
REAL, ALLOCATABLE, DIMENSION(:) :: DMN
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: JON
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: JPON
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_PRINTP()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(FMN)) THEN
|
|
DEALLOCATE(FMN)
|
|
ENDIF
|
|
ALLOCATE(FMN(NPATH_M))
|
|
IF (ALLOCATED(PATH)) THEN
|
|
DEALLOCATE(PATH)
|
|
ENDIF
|
|
ALLOCATE(PATH(NPATH_M))
|
|
IF (ALLOCATED(DMN)) THEN
|
|
DEALLOCATE(DMN)
|
|
ENDIF
|
|
ALLOCATE(DMN(NPATH_M))
|
|
IF (ALLOCATED(JON)) THEN
|
|
DEALLOCATE(JON)
|
|
ENDIF
|
|
ALLOCATE(JON(NPATH_M))
|
|
IF (ALLOCATED(JPON)) THEN
|
|
DEALLOCATE(JPON)
|
|
ENDIF
|
|
ALLOCATE(JPON(NPATH_M,NDIF_M))
|
|
END SUBROUTINE ALLOC_PRINTP
|
|
END MODULE PRINTP_MOD
|
|
C=======================================================================
|
|
MODULE ROT_CUB_MOD
|
|
IMPLICIT NONE
|
|
REAL*4, ALLOCATABLE, DIMENSION(:,:,:) :: R_PIS2
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_ROT_CUB()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(R_PIS2)) THEN
|
|
DEALLOCATE(R_PIS2)
|
|
ENDIF
|
|
ALLOCATE(R_PIS2(1-NL_M:NL_M-1,1-NL_M:NL_M-1,0:NL_M-1))
|
|
END SUBROUTINE ALLOC_ROT_CUB
|
|
END MODULE ROT_CUB_MOD
|
|
C=======================================================================
|
|
MODULE SYMMOP_MOD
|
|
IMPLICIT NONE
|
|
REAL*4, ALLOCATABLE, DIMENSION(:) :: ZL
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: ZM1
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: ZM2
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: IZ
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_SYMMOP()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(ZL)) THEN
|
|
DEALLOCATE(ZL)
|
|
ENDIF
|
|
ALLOCATE(ZL(64))
|
|
IF (ALLOCATED(ZM1)) THEN
|
|
DEALLOCATE(ZM1)
|
|
ENDIF
|
|
ALLOCATE(ZM1(64))
|
|
IF (ALLOCATED(ZM2)) THEN
|
|
DEALLOCATE(ZM2)
|
|
ENDIF
|
|
ALLOCATE(ZM2(64))
|
|
IF (ALLOCATED(IZ)) THEN
|
|
DEALLOCATE(IZ)
|
|
ENDIF
|
|
ALLOCATE(IZ(64))
|
|
END SUBROUTINE ALLOC_SYMMOP
|
|
END MODULE SYMMOP_MOD
|
|
C=======================================================================
|
|
MODULE TAU_PROT_MOD
|
|
IMPLICIT NONE
|
|
REAL*4, ALLOCATABLE, DIMENSION(:) :: Z_L_P
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: Z_M_P
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: I_Z_P
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: ISTEP_L
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: ISTEP_M
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: I_LM
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: I_REL_MP
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TAU_PROT()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(Z_L_P)) THEN
|
|
DEALLOCATE(Z_L_P)
|
|
ENDIF
|
|
ALLOCATE(Z_L_P(NATP_M))
|
|
IF (ALLOCATED(Z_M_P)) THEN
|
|
DEALLOCATE(Z_M_P)
|
|
ENDIF
|
|
ALLOCATE(Z_M_P(NATP_M))
|
|
IF (ALLOCATED(I_Z_P)) THEN
|
|
DEALLOCATE(I_Z_P)
|
|
ENDIF
|
|
ALLOCATE(I_Z_P(NATP_M))
|
|
IF (ALLOCATED(ISTEP_L)) THEN
|
|
DEALLOCATE(ISTEP_L)
|
|
ENDIF
|
|
ALLOCATE(ISTEP_L(NATP_M))
|
|
IF (ALLOCATED(ISTEP_M)) THEN
|
|
DEALLOCATE(ISTEP_M)
|
|
ENDIF
|
|
ALLOCATE(ISTEP_M(NATP_M))
|
|
IF (ALLOCATED(I_LM)) THEN
|
|
DEALLOCATE(I_LM)
|
|
ENDIF
|
|
ALLOCATE(I_LM(NATP_M))
|
|
IF (ALLOCATED(I_REL_MP)) THEN
|
|
DEALLOCATE(I_REL_MP)
|
|
ENDIF
|
|
ALLOCATE(I_REL_MP(NATP_M))
|
|
END SUBROUTINE ALLOC_TAU_PROT
|
|
END MODULE TAU_PROT_MOD
|
|
C=======================================================================
|
|
MODULE TAUSYMMOP_MOD
|
|
IMPLICIT NONE
|
|
REAL*4, ALLOCATABLE, DIMENSION(:,:) :: Z_L
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:) :: Z_M1
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:,:) :: Z_M2
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: I_Z
|
|
INTEGER, ALLOCATABLE, DIMENSION(:,:) :: ISYM
|
|
INTEGER, ALLOCATABLE, DIMENSION(:) :: NSYM_G
|
|
INTEGER :: NSIZE_GR
|
|
REAL, ALLOCATABLE, DIMENSION(:,:,:) :: S_INV
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_TAUSYMMOP()
|
|
USE DIM_MOD
|
|
IF (ALLOCATED(Z_L)) THEN
|
|
DEALLOCATE(Z_L)
|
|
ENDIF
|
|
ALLOCATE(Z_L(NAT_EQ_M,NATP_M))
|
|
IF (ALLOCATED(Z_M1)) THEN
|
|
DEALLOCATE(Z_M1)
|
|
ENDIF
|
|
ALLOCATE(Z_M1(NAT_EQ_M,NATP_M))
|
|
IF (ALLOCATED(Z_M2)) THEN
|
|
DEALLOCATE(Z_M2)
|
|
ENDIF
|
|
ALLOCATE(Z_M2(NAT_EQ_M,NATP_M))
|
|
IF (ALLOCATED(I_Z)) THEN
|
|
DEALLOCATE(I_Z)
|
|
ENDIF
|
|
ALLOCATE(I_Z(NAT_EQ_M,NATP_M))
|
|
IF (ALLOCATED(ISYM)) THEN
|
|
DEALLOCATE(ISYM)
|
|
ENDIF
|
|
ALLOCATE(ISYM(NAT_EQ_M,NATP_M))
|
|
IF (ALLOCATED(NSYM_G)) THEN
|
|
DEALLOCATE(NSYM_G)
|
|
ENDIF
|
|
ALLOCATE(NSYM_G(48))
|
|
IF (ALLOCATED(S_INV)) THEN
|
|
DEALLOCATE(S_INV)
|
|
ENDIF
|
|
ALLOCATE(S_INV(64,3,3))
|
|
END SUBROUTINE ALLOC_TAUSYMMOP
|
|
END MODULE TAUSYMMOP_MOD
|
|
C=======================================================================
|
|
MODULE RENORM_MOD
|
|
IMPLICIT NONE
|
|
INTEGER :: I_REN, N_REN
|
|
REAL :: REN_R, REN_I
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_RENORM()
|
|
USE DIM_MOD
|
|
END SUBROUTINE ALLOC_RENORM
|
|
END MODULE RENORM_MOD
|
|
C=======================================================================
|
|
MODULE C_RENORM_MOD
|
|
IMPLICIT NONE
|
|
COMPLEX, ALLOCATABLE, DIMENSION(:) :: C_REN
|
|
CONTAINS
|
|
SUBROUTINE ALLOC_C_RENORM()
|
|
USE DIM_MOD
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IF (ALLOCATED(C_REN)) THEN
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DEALLOCATE(C_REN)
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ENDIF
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ALLOCATE(C_REN(0:NDIF_M))
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END SUBROUTINE ALLOC_C_RENORM
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END MODULE C_RENORM_MOD
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