Added file src/msspec/spec/fortran/eig/common/save_eigenvalues.f

which writes the eigenvalues to a fortran stream file called
eigenvalues.dat, facilitating reading by a python script.

Added call to save_eigenvalues in src/msspec/spec/fortran/eig/common/eig_mat_ms.f
This commit is contained in:
kmdunseath 2023-06-01 15:52:11 +02:00
parent 39ba8c3983
commit cb0b432041
2 changed files with 41 additions and 0 deletions

View File

@ -178,6 +178,10 @@ CKMD WRITE(IUO1,*) ' '
CKMD WRITE(IUO1,*) ' ---> WORK(1),INFO =',WORK(1),INFO
CKMD WRITE(IUO1,*) ' '
CKMD ENDIF
C
CKMD Save eigenvalues to unformatted stream file eigenvalues.dat
C
call save_eigenvalues(w, jlin, e_kin)
C
N_EIG=0
C

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@ -0,0 +1,37 @@
c
c=======================================================================
c
subroutine save_eigenvalues (evalues, n, ke)
c
implicit none
c
integer, intent(in) :: n
real, intent(in) :: ke
complex*16, intent(in) :: evalues(n)
c
c Local variables
c
integer :: io
logical :: exists
c
c
inquire(file='eigenvalues.dat', exist=exists)
c
if (exists) then
open(newunit=io, file='eigenvalues.dat', status='old',
+ form='unformatted', access='stream', action='write',
+ position='append')
else
open(newunit=io, file='eigenvalues.dat', status='new',
+ form='unformatted', access='stream', action='write')
end if
c
write(io) ke, n, evalues(1:n)
c
close(io)
c
return
end subroutine save_eigenvalues
c
c=======================================================================
c