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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-11 02:11:30 +02:00
Commit Graph

13 Commits

Author SHA1 Message Date
eginer
cfdaf722df added the keyword to minimize tc angles at the end of TC SCF 2024-03-15 15:40:18 +01:00
eginer
1769efddca fixed the qp_test of tc_scf 2024-03-12 16:52:53 +01:00
eginer
2ea789bee9 removed STUPID stop in save_tc_natorb
Some checks failed
continuous-integration/drone/push Build is failing
2024-03-08 17:25:48 +01:00
Emmanuel Giner
df2d43d51c
Merge pull request #321 from AbdAmmar/dev-stable
Dev stable
2024-03-05 17:45:06 +01:00
eginer
36bae4971d added some j for plotting 2024-02-29 18:44:40 +01:00
AbdAmmar
8e2d2120b0
Merge pull request #33 from QuantumPackage/dev-stable
Dev stable
2024-02-27 19:02:41 +01:00
eginer
b9932c0e77 added swaping between Left/Right MOs when large angles 2024-02-26 15:33:36 +01:00
AbdAmmar
7fc4c81485 few modif 2024-02-23 23:51:03 +01:00
AbdAmmar
6fa207a9fb Boys & Handy Jastrow: OK 2024-02-16 16:45:54 +01:00
AbdAmmar
b4ba0eda6f new keywords for Jastrow 2024-01-15 12:05:26 +01:00
AbdAmmar
ef60141fbf new keywords for Jastrow 2024-01-15 12:02:38 +01:00
AbdAmmar
bc1957c45a print angles for tc-scf 2023-12-28 17:14:12 +01:00
b95c8142a5 Moved many modules in plugins/local for quicker installation 2023-11-07 10:27:34 +01:00