vijay gopal chilkuri
|
7bac20bfae
|
Check if electron is provided in provide shell vgl.
|
2021-06-25 07:48:54 +05:30 |
|
|
|
bd86faf1a6
|
Merge branch 'master' of github.com:TREX-CoE/qmckl
|
2021-06-24 00:18:24 +02:00 |
|
|
|
616815b9b4
|
comment
|
2021-06-24 00:18:19 +02:00 |
|
|
|
2627368c54
|
Added Fortran interfaces
|
2021-06-23 23:58:28 +02:00 |
|
|
|
6b2c188475
|
Computation of shells
|
2021-06-22 23:33:09 +02:00 |
|
|
|
0db9c6009d
|
Ideas for improvement
|
2021-06-14 12:53:38 +02:00 |
|
|
|
4bcb9b980c
|
Implemented AO primitives
|
2021-06-10 23:54:39 +02:00 |
|
|
|
4ae5517641
|
Working on AOs
|
2021-06-10 00:10:19 +02:00 |
|
|
|
8090edc771
|
Fix AO tests
|
2021-06-03 22:34:23 +02:00 |
|
|
|
58cd3f009d
|
Added test data for ch3clbrf
|
2021-06-03 18:26:00 +02:00 |
|
|
|
36293d892e
|
Clean configure
|
2021-06-03 01:32:50 +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 |
|
|
|
c61556ef77
|
Working on automake
|
2021-05-11 11:45:49 +02:00 |
|
