From f7623c3ed6b312f11b324c0aefe20af9a6a84678 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Mon, 17 Jul 2023 13:39:35 +0200 Subject: [PATCH] remove read/write guess --- src/HF/dump_orbitals.f90 | 36 ------------------------------------ 1 file changed, 36 deletions(-) delete mode 100644 src/HF/dump_orbitals.f90 diff --git a/src/HF/dump_orbitals.f90 b/src/HF/dump_orbitals.f90 deleted file mode 100644 index 8888f03..0000000 --- a/src/HF/dump_orbitals.f90 +++ /dev/null @@ -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