TREX
/
qmckl
mirror of https://github.com/TREX-CoE/qmckl.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Fix previous commit

This commit is contained in:
Anthony Scemama 2023-11-15 13:20:30 +01:00
parent f1764a5717
commit 952ca05bf0
1 changed files with 3 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
org/qmckl_trexio.org
View File

@ -659,6 +659,9 @@ qmckl_trexio_read_ao_X(qmckl_context context, trexio_t* const file)
qmckl_free(context, tmp_array);
tmp_array = NULL;
/* Store data */
rc = qmckl_set_ao_basis_shell_prim_num(context, shell_prim_num, shell_num);
qmckl_free(context, shell_prim_num);
shell_prim_num = NULL;