From f629fc993e05222e3e97674c51f39fa34f2b204c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 29 Jun 2022 15:25:19 +0200 Subject: [PATCH] Fix normf=1 problem with gamess conversion --- bin/qp_convert_output_to_ezfio | 1 + 1 file changed, 1 insertion(+) diff --git a/bin/qp_convert_output_to_ezfio b/bin/qp_convert_output_to_ezfio index 07ad2236..4c440dd9 100755 --- a/bin/qp_convert_output_to_ezfio +++ b/bin/qp_convert_output_to_ezfio @@ -146,6 +146,7 @@ def write_ezfio(res, filename): ezfio.set_ao_basis_ao_nucl(at) ezfio.set_ao_basis_ao_prim_num(num_prim) ezfio.set_ao_basis_ao_power(power_x + power_y + power_z) + ezfio.set_ao_basis_ao_normalized(False) # ~#~#~#~#~#~#~ # # P a r s i n g #