|
|
7538a879fc
|
Fix documentation
|
2021-10-14 21:57:28 +02:00 |
|
|
|
1a713455f8
|
Fixed DGEMM
|
2021-10-14 21:53:00 +02:00 |
|
|
|
b3e3b0b6dc
|
Fixing build
|
2021-10-14 21:45:30 +02:00 |
|
|
|
284145be65
|
Merge branch 'master' of github.com:TREX-CoE/qmckl
|
2021-10-14 21:44:02 +02:00 |
|
|
|
1cb4365a29
|
Merge branch 'master' of github.com:TREX-CoE/qmckl
|
2021-10-14 21:40:51 +02:00 |
|
|
|
2587a046de
|
Fixed #48
|
2021-10-14 21:40:14 +02:00 |
|
|
|
08f13d29b4
|
Cleaning tangle
|
2021-10-14 21:39:08 +02:00 |
|
|
|
4a3a169e03
|
Less verbose output when tangling
|
2021-10-14 19:53:00 +02:00 |
|
|
|
f2b1c76e39
|
Update gh-pages.yml
|
2021-10-14 19:49:07 +02:00 |
|
|
|
f8e80b2113
|
Remove unused variables
|
2021-10-14 18:54:48 +02:00 |
|
|
|
acb034e88b
|
Remove annoying warning in debug
|
2021-10-14 18:53:31 +02:00 |
|
|
|
7ea06ffcce
|
README
|
2021-10-14 17:07:16 +02:00 |
|
|
|
f04981edd8
|
Merge pull request #45 from TREX-CoE/trexio
Trexio
|
2021-10-14 16:49:23 +02:00 |
|
|
|
1e8e91b61b
|
Minor changes in mo
|
2021-10-14 16:45:40 +02:00 |
|
|
|
8fb59bce14
|
Merge branch 'trexio' of github.com:TREX-CoE/qmckl into trexio
|
2021-10-14 16:33:06 +02:00 |
|
|
|
86c8187d7e
|
Fix broken builds
|
2021-10-14 16:32:58 +02:00 |
|
|
|
ef25dd3c2e
|
Update test-build.yml
|
2021-10-14 16:17:48 +02:00 |
|
|
|
c434f9507c
|
Update test-build.yml
|
2021-10-14 16:14:22 +02:00 |
|
|
|
b8f01737ea
|
Merge branch 'trexio' of github.com:TREX-CoE/qmckl into trexio
|
2021-10-14 11:57:00 +02:00 |
|
|
|
7b5a80e3d5
|
Use new trexio
|
2021-10-14 11:08:30 +02:00 |
|
|
|
c4467abb28
|
Merge branch 'master' into trexio
|
2021-10-14 10:52:35 +02:00 |
|
|
|
4e36bba278
|
Fixed distcheck with updated trexio
|
2021-10-14 10:50:51 +02:00 |
|
|
|
8d190de55a
|
Merge pull request #27 from PurplePachyderm/master
Integration of Verificarlo CI
|
2021-10-13 15:03:50 +02:00 |
|
Aurélien Delval
|
3cf86817f4
|
Fix merge issue with qmckl_ao.org
|
2021-10-13 15:01:23 +02:00 |
|
Aurélien Delval
|
c84deac647
|
Merge branch 'master' into master
|
2021-10-13 14:11:07 +02:00 |
|
Pablo de Oliveira Castro
|
9c2d01b33d
|
Typo in orgmode table
|
2021-10-13 13:19:35 +02:00 |
|
|
|
bae4692154
|
Merge pull request #47 from TREX-CoE/sherman-determinant
Sherman determinant
|
2021-10-13 12:17:11 +02:00 |
|
Pablo Oliveira
|
1859a2b6d7
|
Fix indentation
|
2021-10-13 12:03:18 +02:00 |
|
Pablo Oliveira
|
4f2e8b6d8e
|
Update determinant in the SM+WB splitting versions
|
2021-10-13 11:55:20 +02:00 |
|
Pablo Oliveira
|
9ca88679f9
|
Update determinant in Woodbury 3x3
|
2021-10-13 10:51:42 +02:00 |
|
Pablo Oliveira
|
94e9b13963
|
Update determinant in Woodbury 2x2 and fix tests
|
2021-10-13 10:45:54 +02:00 |
|
Pablo Oliveira
|
b05390a273
|
Update determinant in qmckl_sherman_morrison
|
2021-10-13 10:31:24 +02:00 |
|
|
|
6afb78429a
|
Added new test
|
2021-10-13 10:10:09 +02:00 |
|
Pablo de Oliveira Castro
|
7fdc1e8346
|
Merge branch 'master' into master
|
2021-10-13 09:32:31 +02:00 |
|
|
|
990cfd756e
|
Update test-build.yml
|
2021-10-12 11:48:48 +02:00 |
|
|
|
9f66bdc836
|
Update test-build.yml
|
2021-10-12 11:35:42 +02:00 |
|
|
|
6ac17bc76e
|
Merge pull request #46 from TREX-CoE/master
Update test-build.yml
|
2021-10-12 11:28:02 +02:00 |
|
|
|
b0fa668c77
|
Update test-build.yml
|
2021-10-12 11:25:05 +02:00 |
|
|
|
f9cca71b5f
|
Merge branch 'master' into trexio
|
2021-10-12 00:26:48 +02:00 |
|
|
|
db59021544
|
Install HDF5 for trexio
|
2021-10-12 00:17:14 +02:00 |
|
|
|
d17b0f88d1
|
Install trexio in GH actions
|
2021-10-12 00:15:38 +02:00 |
|
|
|
f43a4ebff8
|
Reading MOs from TREXIO. Modified MOs API
|
2021-10-12 00:10:01 +02:00 |
|
vijay
|
f13d45f82f
|
Merge branch 'master' into master
|
2021-10-11 23:31:51 +02:00 |
|
|
|
e620e78938
|
Basis read from trexio
|
2021-10-11 23:26:12 +02:00 |
|
|
|
ecfe58a966
|
Fixed cppcheck in AOs
|
2021-10-11 22:53:50 +02:00 |
|
|
|
713008097a
|
Merge branch 'master' into trexio
|
2021-10-11 22:43:39 +02:00 |
|
|
|
27b17b57eb
|
Merge pull request #44 from v1j4y/bug_fix_modims
Bug fix for modims.
|
2021-10-11 22:43:10 +02:00 |
|
v1j4y
|
faba6a0cdc
|
Bug fix for modims.
|
2021-10-11 18:27:58 +02:00 |
|
|
|
97e5392f5f
|
Added 1 function in trexio
|
2021-10-11 18:15:31 +02:00 |
|
|
|
5989eaac36
|
Added some functions for TREXIO basis
|
2021-10-11 17:35:40 +02:00 |
|
