From 0c8845f5f208e1c405a6aa5aba1ceb276ddbdcdf Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 4 Apr 2024 15:06:30 +0200 Subject: [PATCH] Fix qp_convert --- bin/qp_convert_output_to_ezfio | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/bin/qp_convert_output_to_ezfio b/bin/qp_convert_output_to_ezfio index 1b33f156..6f2d02d0 100755 --- a/bin/qp_convert_output_to_ezfio +++ b/bin/qp_convert_output_to_ezfio @@ -227,8 +227,8 @@ def write_ezfio(res, filename): shell_index += [nshell_tot] * len(b.prim) shell_num = len(ang_mom) - assert(shell_index[0] = 1) - assert(shell_index[-1] = shell_num) + assert(shell_index[0] == 1) + assert(shell_index[-1] == shell_num) # ~#~#~#~#~ # # W r i t e #