Merge branch 'master' into dev-stable

Fix qp_convert
2024-04-04 15:06:46 +02:00 · 2024-04-04 15:06:30 +02:00
1 changed files with 2 additions and 2 deletions
--- 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 #
Author	SHA1	Message	Date
Anthony Scemama	4173cb5b70	Merge branch 'master' into dev-stable	2024-04-04 15:06:46 +02:00
Anthony Scemama	0c8845f5f2	Fix qp_convert	2024-04-04 15:06:30 +02:00