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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 20:36:01 +01:00
Commit Graph

219 Commits

Author SHA1 Message Date
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
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
vijay gopal chilkuri
42def4a977 Changed install instructions in README and README.md. #15 2021-05-25 09:00:12 +05:30
vijay gopal chilkuri
d87621c391 Revert "Changed install instructions in README and README.md. #15"
This reverts commit d450a9b77f.
2021-05-25 08:58:45 +05:30
vijay gopal chilkuri
d450a9b77f Changed install instructions in README and README.md. #15 2021-05-25 08:56:53 +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
20a5ec4cc3 Fix error on MacOS 2021-05-13 00:02:13 +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
bf11388be8 Remove MacOS from CI 2021-05-12 23:41:43 +02:00
f69897f9f6 Fixing MacOS 2021-05-12 23:39:55 +02:00
8636aaf67c Fixing MacOS 2021-05-12 23:38:12 +02:00
808e3f1ec3 Fixing MacOS 2021-05-12 23:33:10 +02:00
6a36bd1043 Fixing MacOS 2021-05-12 23:30:46 +02:00
df329a4673 Fix CI 2021-05-12 23:23:42 +02:00
60875bf3fa Fix dist 2021-05-12 23:18:22 +02:00
0ae0f68d01 Python script to build makefiles 2021-05-12 23:16:09 +02:00
7b7c8242bd Fix CI 2021-05-12 13:36:25 +02:00
0fdaea77c9 Fix CI 2021-05-12 13:35:38 +02:00
ea8804ae19 MacOS CI 2021-05-12 13:33:14 +02:00
1516f06e03 Multi-arch CI 2021-05-12 13:24:35 +02:00
abb30cf8e2 Add css file 2021-05-12 02:47:55 +02:00
b437cb5ce9 Fix CI 2021-05-12 02:41:29 +02:00
d22ab667fd Fix CI 2021-05-12 02:33:47 +02:00
c3bd5cd732 Fixing CI 2021-05-12 02:25:23 +02:00
62d04409b1 Cleaning 2021-05-12 02:20:39 +02:00
95b9d77e84 Workflows 2021-05-12 02:16:45 +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
0ee57d06e0 Working on documentation 2021-05-11 17:03:13 +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
a4e49f4939 Added tests 2021-05-11 12:56:41 +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
18ef3a02b8 Automake working 2021-05-10 23:56:26 +02:00
0cb247e682 Fixing distcheck 2021-05-10 10:55:22 +02:00
f524eeb22c config.h fixed 2021-05-10 10:41:59 +02:00
8b9b671c84 Improve build system 2021-05-10 10:05:50 +02:00
66d606ff1e -DHAVE_CONFIG_H 2021-05-09 02:12:38 +02:00