From db30bb8ec4c39d5a6d4238b2c258b10c6ec59a79 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Mon, 13 Apr 2015 09:41:33 +0200 Subject: [PATCH] ezfio_v1_to_v2.py --- scripts/ezfio_interface/convert_ezfio.sh | 27 ------------------------ 1 file changed, 27 deletions(-) delete mode 100755 scripts/ezfio_interface/convert_ezfio.sh diff --git a/scripts/ezfio_interface/convert_ezfio.sh b/scripts/ezfio_interface/convert_ezfio.sh deleted file mode 100755 index ec0ab770..00000000 --- a/scripts/ezfio_interface/convert_ezfio.sh +++ /dev/null @@ -1,27 +0,0 @@ -#!/bin/bash -# Convert a old ezfio file (with option.irp.f ezfio_default) -# into a new EZFIO.cfg type - -# Hartree Fock -# Changin the case, don't know if is needed or not -mv $1/Hartree_Fock $1/hartree_fock 2> /dev/null - -mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf 2> /dev/null - -# BiInts -mv $1/bi_integrals $1/bielect_integrals 2> /dev/null - -if [ -f $1/bielect_integrals/read_ao_integrals ]; then - if [ `cat $1/bielect_integrals/read_ao_integrals` -eq "True" ] - then - echo "Read" > $1/bielect_integrals/disk_access_ao_integrals - - elif [ `cat bielect_integrals/write_ao_integrals` -eq "True" ] - then - echo "Write" > $1/bielect_integrals/disk_access_ao_integrals - - else - echo "None" > $1/bielect_integrals/disk_access_ao_integrals - - fi -fi \ No newline at end of file