10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-17 18:55:31 +02:00

Default Branch

38aa8ef547 · Update ccsd_space_orb_sub.irp.f · Updated 2024-06-06 16:36:45 +02:00

Branches

e12f13598a · Fixed HCore guess with spherical MOs · Updated 2023-02-15 16:26:33 +01:00

852
0
Included

74daac0dfb · Fix trexio compilation bug · Updated 2022-11-30 11:41:18 +01:00

863
263

38d1b9e062 · Some clarifications and minor phrasing changes · Updated 2020-12-16 11:21:53 +01:00

1619
1

46dfb551a8 · modified the factor two in rdm · Updated 2023-03-04 13:07:12 +01:00

766
0
Included

ecd1e840b5 · working on some bugs for pert 2rdm · Updated 2019-10-29 00:55:04 +01:00

1691
5

9022e3c689 · Reduce size of qp_box.png · Updated 2019-08-02 13:04:28 +02:00

2176
32

80580c3932 · Merge pull request #216 from AbdAmmar/master · Updated 2022-10-24 11:51:02 +02:00

864
133

8a08cfc33b · Saving MOs in TREXIO format · Updated 2022-07-01 12:40:36 +02:00

869
67

20eb52b2b0 · cleanup and add FREE mo_integrals_map_2 · Updated 2020-05-29 00:57:34 +02:00

1580
215

1910bc6fff · Instructions · Updated 2022-11-07 18:14:38 +01:00

863
120

e49dac5314 · fixed wrong types · Updated 2020-03-19 15:48:55 +01:00

1580
156

9ff4f2437c · Merge pull request #307 from QuantumPackage/dev-stable · Updated 2023-10-23 15:30:52 +02:00

205
0
Included

344137bbf5 · save kpts · Updated 2022-05-06 23:22:34 +02:00

1377
316
csf

7033d61850 · Small optimizations · Updated 2021-03-24 16:57:08 +01:00

1190
53

ae2f959b8c · ezfio bytes/str fix · Updated 2020-08-03 20:34:52 +02:00

1439
3

43c7696001 · pass is_complex as argument to pt2_type_size · Updated 2020-09-11 18:31:45 +02:00

1377
289

3fb7c6e48e · Merge branch 'dev' into features_spack · Updated 2020-03-18 11:46:46 +01:00

1568
14

f481b667c5 · Merge pull request #82 from QuantumPackage/master · Updated 2020-02-13 00:37:57 +01:00

1636
1

f671c669f8 · Use less memory in Cholesky · Updated 2024-06-17 18:13:45 +02:00

0
84

67a83f767b · Merge pull request #302 from AbdAmmar/dev-stable-tc-scf · Updated 2023-07-03 01:33:53 +02:00

423
3