From 38ade7947e463f91b06658582bcab731c01d5db1 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 4 Dec 2009 11:17:44 +0100 Subject: [PATCH] Bug in to_ezfio --- bin/to_ezfio.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/bin/to_ezfio.py b/bin/to_ezfio.py index 53881ce..7040b94 100755 --- a/bin/to_ezfio.py +++ b/bin/to_ezfio.py @@ -178,8 +178,8 @@ def write_ezfioFile(res,filename): ezfio.set_determinants_det_occ(dets_a+dets_b) -ezfio.set_compute_eplf(True) -for i in "density density_lapl elf_grad eplf_lapl density_grad elf_grad elf_lapl eplf_grad".split(): - exec "ezfio.set_compute_%s(False)" % i + ezfio.set_compute_eplf(True) + for i in "density density_lapl elf_grad eplf_lapl density_grad elf_grad elf_lapl eplf_grad".split(): + exec "ezfio.set_compute_%s(False)" % i write_ezfioFile(file,firstArg+".ezfio")