TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-18 08:53:47 +02:00
Code Issues Projects Releases Wiki Activity

Added elec date for en_pot. #41

Browse Source
This commit is contained in:
v1j4y 2021-10-13 18:26:45 +02:00
parent cff6b8a47a
commit 64b30dc10e
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
org/qmckl_nucleus.org
View File

@ -1199,7 +1199,7 @@ qmckl_exit_code qmckl_provide_en_potential(qmckl_context context)
if (!ctx->nucleus.provided) return QMCKL_NOT_PROVIDED;
/* Compute if necessary */
if (ctx->nucleus.coord_date > ctx->nucleus.en_pot_date) {
if (ctx->electron.coord_new_date > ctx->nucleus.en_pot_date) {
/* Allocate array */
if (ctx->nucleus.en_pot == NULL) {