TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-23 04:44:03 +01:00
Code Issues Projects Releases Wiki Activity

Deactivate mo test atm.

Browse Source
This commit is contained in:
v1j4y 2021-09-27 18:20:41 +02:00
parent a055732227
commit ff124cb62c
1 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
org/qmckl_mo.org
View File

@ -770,9 +770,9 @@ assert (rc == QMCKL_SUCCESS);
assert(qmckl_ao_basis_provided(context)); assert(qmckl_ao_basis_provided(context));
double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num]; //double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num];
rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0])); //rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0]));
assert (rc == QMCKL_SUCCESS); //assert (rc == QMCKL_SUCCESS);
//printf("\n"); //printf("\n");