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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-24 13:23:46 +01:00
Commit Graph

52 Commits

Author SHA1 Message Date
vijay gopal chilkuri
0df816c0ba Finished ee_deriv_e. #20 2021-07-06 12:57:14 +05:30
vijay gopal chilkuri
ad824d0f71 Renamed test file to n2 and fixed a few bugs. #162 2021-07-05 14:37:09 +05:30
vijay gopal chilkuri
25b30382dc Modified library function. #20 2021-06-23 15:08:38 +05:30
6b2c188475 Computation of shells 2021-06-22 23:33:09 +02:00
eb09d47bc0 Fixing Actions 2021-06-03 01:50:51 +02:00
36293d892e Clean configure 2021-06-03 01:32:50 +02:00
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
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
b437cb5ce9 Fix CI 2021-05-12 02:41:29 +02:00
d22ab667fd Fix CI 2021-05-12 02:33:47 +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
8b9b671c84 Improve build system 2021-05-10 10:05:50 +02:00
66d606ff1e -DHAVE_CONFIG_H 2021-05-09 02:12:38 +02:00
e2ee986032 Added VPATH 2021-05-09 01:27:07 +02:00
2bb844dd59 Added configure scripts 2021-05-07 12:47:56 +02:00
0dffa4ce4c Cleaned Makefile 2021-05-04 17:10:20 +02:00
c2d02f755b Added DESTDIR in Makefile 2021-04-30 01:55:50 +02:00
58f4113a99 Added missing css file 2021-04-30 01:34:10 +02:00
e2e46d0714 Moved documentation in share/doc 2021-04-30 01:26:19 +02:00
56ba68b7f8 Fixed text in org file 2021-04-21 13:26:11 +02:00
8882b4b3d4 Fix htmlize 2021-04-21 13:17:33 +02:00
399a632bdd Add doc in dist, and text doc 2021-04-21 12:44:03 +02:00
e18655b147 Added qmckl_electron 2021-04-21 01:56:47 +02:00
3618cde7b1 Cleaned Makefiles 2021-04-20 18:33:36 +02:00
5c285dcdb6 Fixed distances 2021-04-17 12:35:52 +02:00
33f33fcdf3 Auto-generate interfaces 2021-04-16 01:09:41 +02:00
ff8330f8f9 Include lib.org 2021-04-09 11:26:04 +02:00
fac7e9d74f Easier context 2021-03-30 14:51:23 +02:00
271c4cfe84 Nicer bash script 2021-03-23 22:23:49 +01:00
27b9fdab22 Fixed Makefile 2021-03-20 16:58:48 +01:00
be44127dba Included auto-generation of Fortran in distances 2021-03-20 16:56:22 +01:00
87ad36e342 Fixing CI 2021-03-19 13:47:50 +01:00
1af0bf053f Memory checking 2021-03-18 18:02:34 +01:00
4bf71426e4 Rewrote context 2021-03-10 12:58:38 +01:00
342c337677 Separated org-mode files 2021-03-09 01:16:23 +01:00
479a068199 testing workflow 2021-03-06 19:56:36 +01:00
09a862aa2b Fixed website 2021-03-06 19:49:55 +01:00
dca597a3ab Fixed doc creation 2021-03-06 19:46:27 +01:00
0f15844bf3 Fixing doc generation 2021-03-06 19:40:01 +01:00
f03cff153e Fixed makefile 2021-03-06 18:19:13 +01:00