|
|
edfa7aeb5e
|
Fixed qp_convert now using trexio in the middle
|
2025-04-01 20:29:22 +02:00 |
|
|
|
9d2a2ee754
|
Introducing trexion convention
|
2025-02-12 12:01:04 +01:00 |
|
|
|
fe9ea75ae7
|
Added Spd module in OCaml
|
2025-02-11 19:02:00 +01:00 |
|
|
|
0c8845f5f2
|
Fix qp_convert
continuous-integration/drone/push Build is failing
|
2024-04-04 15:06:30 +02:00 |
|
|
|
e9463ae681
|
Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable
|
2024-02-28 15:46:48 +01:00 |
|
|
|
9c49be2f59
|
Added mo_symmetry in qp_convert
|
2024-02-23 13:16:55 +01:00 |
|
|
|
6bac69abac
|
Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable
|
2023-12-05 17:21:47 +01:00 |
|
|
|
6a1c10f4fb
|
Fix missing mo_label in qp_convert
|
2023-11-16 19:21:18 +01:00 |
|
|
|
b5637661fa
|
Fix shell_index when converting file
|
2023-11-15 13:10:14 +01:00 |
|
|
|
efc7ac77d7
|
Merge branch 'master' into dev
|
2021-12-20 19:07:31 +01:00 |
|
|
|
8c39fffd4c
|
Upgrade to resultsFile v2.3
|
2021-12-20 19:05:13 +01:00 |
|
|
|
13eee57e67
|
Update for TREXIOv2
|
2021-12-07 19:30:32 +01:00 |
|
|
|
23e8789df6
|
Update occ_num in qp_convert_output_to_ezfio
|
2021-10-12 15:55:44 +02:00 |
|
|
|
b3c2f3c204
|
Basis in qp_convert_output_to_ezfio
|
2021-06-25 00:11:57 +02:00 |
|
|
|
c614cb3922
|
Fixed conversion
|
2020-05-15 15:12:39 +02:00 |
|
|
|
c22daadf40
|
Moving to Python3.
|
2020-01-27 22:30:01 +01:00 |
|
|
|
24d9745056
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|
