1
0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-06-13 16:55:35 +02:00
Commit Graph

33 Commits

Author SHA1 Message Date
399a632bdd Add doc in dist, and text doc 2021-04-21 12:44:03 +02:00
3618cde7b1 Cleaned Makefiles 2021-04-20 18:33:36 +02:00
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
4bf71426e4 Rewrote context 2021-03-10 12:58:38 +01:00
342c337677 Separated org-mode files 2021-03-09 01:16:23 +01:00
02163ce52c Fixing website 2021-03-06 20:05:36 +01:00
f26785b829 Fixing makefile 2021-03-06 19:36:46 +01:00
f03cff153e Fixed makefile 2021-03-06 18:19:13 +01:00
88f1f82230 Updated doc generation 2021-03-06 14:46:01 +01:00
56f5d9d56d Error handling 2021-03-05 03:45:30 +01:00
3852dad53d Reordering of powers in polynomials 2020-11-06 12:10:20 +01:00
abbc12e160 Transposed VGL in ao_polynomials 2020-11-06 11:01:33 +01:00
ccc1b835d1 Simplify org-mode 2020-11-05 15:27:25 +01:00
e774a725b9 Merging org files 2020-11-05 12:57:39 +01:00
2467214b3a Introduced Gaussian basis functions 2020-11-05 00:46:19 +01:00
2cc816766f HTML Export file name 2020-10-26 19:44:21 +01:00
d91cb765e3 Tests in Fortran 2020-10-26 19:33:31 +01:00
5e9e74f743 Added polynomials 2020-10-25 15:03:01 +01:00
9fde54922e Added make doc 2020-10-22 01:24:14 +02:00
150518aef0 Added f90 example file 2020-10-22 00:50:07 +02:00
5f5465eaf9 Merge tests into single exe 2020-10-21 19:50:18 +02:00
c0a21d568a Simplify makefile 2020-10-17 01:20:11 +02:00
722d6dd540 Make test 2020-10-17 00:28:49 +02:00
456c6fc100 Updated Makefile 2020-10-17 00:00:57 +02:00
ec7df80028 Add tag to check if memory pointers are valid 2020-10-16 23:38:35 +02:00
4236b33a4f Worked on Makefiles 2020-10-16 13:58:05 +02:00
32d633bfb6 Fixed type in free 2020-10-15 12:36:52 +02:00
Pablo Oliveira
a65d4b3648 Fix Makefile 2020-10-15 09:43:51 +02:00
90714f069b Removed iso-c-bindings in C. Will be done for Fortran 2020-10-14 09:54:12 +02:00
baf48d1987 Added some iso_c_bindings 2020-10-14 01:43:13 +02:00
6e18f16b82 Initial commit : context 2020-10-14 00:52:50 +02:00