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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-05 05:34:06 +01:00
Commit Graph

620 Commits

Author SHA1 Message Date
vijay gopal chilkuri
e3a08947bd Working on rescaled distances. #15 2021-05-25 17:48:25 +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
vijay gopal chilkuri
9479ec51ff Fixed typo in qmckl.org and added a rule to use Python3 in init.el. #15 2021-05-25 13:07:24 +05:30
2bbef647f5 No bugs with Clang static analyzer 2021-05-19 22:49:32 +02:00
bbb6fac5db Added cppcheck 2021-05-19 01:49:41 +02:00
16595f898b Fixed Makefile 2021-05-19 01:35:34 +02:00
1504330500 Added 'N' and 'T' in coord 2021-05-19 00:28:56 +02:00
d78890e31b Added eN distances 2021-05-18 12:32:28 +02:00
f2b109e14b Added nucleus 2021-05-16 01:31:08 +02:00
0fea378698 Improve electron module 2021-05-15 23:19:13 +02:00
b7a0f608c8 removed malloc.h 2021-05-12 23:57:40 +02:00
e65fa310d3 removed malloc.h 2021-05-12 23:51:59 +02:00
5c40916bf3 Fixed module depend 2021-05-12 01:51:26 +02:00
4adcfa1df4 Complete build OK 2021-05-12 00:22:51 +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
90474fee2d parallel tangle OK 2021-05-11 12:34:12 +02:00
c61556ef77 Working on automake 2021-05-11 11:45:49 +02:00