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remove read/write guess

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This commit is contained in:
Pierre-Francois Loos 2023-07-17 13:39:35 +02:00
parent 62b9722256
commit f7623c3ed6
1 changed files with 0 additions and 36 deletions
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36
src/HF/dump_orbitals.f90
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@ -1,36 +0,0 @@
subroutine dump_orbitals(nBas,c)
! Write orbitals in a file
implicit none
include 'parameters.h'
! Input variables
integer,intent(in) :: nBas
! Local variables
integer :: mu,p
! Output variables
double precision,intent(out) :: c(nBas,nBas)
! Open file with orbitals
open(unit=12,file='int/MO.dat')
! Dump orbitals
do mu=1,nBas
do p=1,nBas
if(abs(c(mu,p)) > 1d-15) write(12,'(I6,I6,F20.15)') mu,p,c(mu,p)
enddo
enddo
! Close file
12 close(unit=12)
end subroutine dump_orbitals