1
0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-23 04:44:03 +01:00
Commit Graph

11 Commits

Author SHA1 Message Date
acb034e88b Remove annoying warning in debug 2021-10-14 18:53:31 +02:00
4ae5517641 Working on AOs 2021-06-10 00:10:19 +02:00
vijay gopal chilkuri
7924600602 Extended error arg list to 20 and restored nuclear charge test. #15 2021-05-26 14:21:11 +05:30
vijay gopal chilkuri
f416799623 Completed tests for qmckl_error and added expression for rescaled distances. #15 2021-05-26 09:36:38 +05:30
vijay gopal chilkuri
8fc3aa9330 Added test for qmckl_set_error and qmckl_get_error. #15 2021-05-25 17:16:21 +05:30
vijay gopal chilkuri
7c7a166bb8 Added test for qmckl_est_error. #15 2021-05-25 13:34:33 +05:30
vijay gopal chilkuri
97e74c6c3f Working on tests for QMCKL_ERROR. #15 2021-05-25 13:29:37 +05:30
0fea378698 Improve electron module 2021-05-15 23:19:13 +02:00
ee9e3c5b55 Removed need for munit 2021-05-11 16:47:22 +02:00
d4711206f0 Introduced qmckl.h in org files 2021-05-11 13:57:23 +02:00
c61556ef77 Working on automake 2021-05-11 11:45:49 +02:00