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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-07 14:03:37 +01:00
Commit Graph

13 Commits

Author SHA1 Message Date
eginer
b7787f5e6d trying to speed up the PT2 in TC by transposing the array of tc integrals 2024-05-07 19:43:05 +02:00
a1eb62f66d Merge branch 'dev-stable' of github.com:AbdAmmar/qp2 into AbdAmmar-dev-stable 2024-05-06 17:32:37 +02:00
944c41b101 Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
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2024-05-02 16:22:43 +02:00
425e7e4ee0 Changed symetric_fock_tc into symmetric_fock_tc
Some checks failed
continuous-integration/drone/push Build is failing
2024-05-02 16:22:01 +02:00
Abdallah Ammar
d43d960b1a TC-SCF CLEANED 2024-05-01 23:10:18 +02:00
AbdAmmar
88e0b5fc74
Merge branch 'dev-stable' into dev-stable 2024-05-01 18:54:03 +02:00
AbdAmmar
1a36d974b0 saving lcpq-ampere 2024-04-07 00:43:44 +02:00
AbdAmmar
002aff90f5 working on mem reduction 2024-04-07 00:43:44 +02:00
eginer
cfdaf722df added the keyword to minimize tc angles at the end of TC SCF 2024-03-15 15:40:18 +01:00
AbdAmmar
1dbde56439 O(N4) -> O(N3) transformations 2024-03-13 07:04:54 +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
b95c8142a5 Moved many modules in plugins/local for quicker installation 2023-11-07 10:27:34 +01:00