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ndiab,nstat,ntot,nci,pst use data_module,only: q_m,x1_m,x2_m,y_m - use diabmodel, only:diab + use diab_mod, only:diab use data_matrix !use dipole, only: diab implicit none @@ -58,17 +58,17 @@ integer TYPES, BLK ! TYPE OF THE CALCULATION ! variabke for dgemm - double precision,dimension(ndiab,ndiab):: ex,ey + double precision,dimension(ndiab,ndiab):: ex,ey,ez double precision:: alpha integer:: lda,ldb,beta,ldc double precision,dimension(ndiab,ndiab):: temp1,temp2 - call diab(ex,ey,n,x1_m(:,n),x2_m(:,n),p) + call diab(ex,ey,ez,n,x1_m(:,n),x2_m(:,n),p) ! init eigenvector matrix - TYPES = int(p(pst(1,28))) + TYPES = int(p(pst(1,32))) - BLK = int(p(pst(1,28)+1)) ! BLOCK IF TYPE IS 3 + BLK = int(p(pst(1,32)+1)) ! BLOCK IF TYPE IS 3 u = 0.d0 vx=0.0d0 skip=.false. @@ -87,6 +87,9 @@ else if (TYPES .eq.5) then call Transformation_mat(ex,vx,ymod) ymod=0.0d0 + else if (TYPES .eq.6) then + ! transform the lz + call one_dia_upper(ez,ymod) else write(*,*) "Error in TYPE of calculation here",TYPES diff --git a/src/model/data_transform.f90 b/src/model/data_transform.f90 index 69521ff..67bf585 100644 --- a/src/model/data_transform.f90 +++ b/src/model/data_transform.f90 @@ -1,5 +1,6 @@ !