LCPQ/qp2
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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-07 14:03:37 +01:00
Code Releases Activity
2,143 Commits 30 Branches 18 Tags 79 MiB
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26 Commits

Author SHA1 Message Date
Anthony Scemama
0a8d57abd9 Accelerated BH Jastrow 2024-03-15 18:19:00 +01:00
AbdAmmar
6fa207a9fb Boys & Handy Jastrow: OK 2024-02-16 16:45:54 +01:00
Abdallah Ammar
9dc8c0653d added Boys & Handy's Jastrow 2024-02-15 20:37:56 +01:00
AbdAmmar
da2ee20723 added 1e-term to Mu_Nu 2024-02-04 19:56:23 +01:00
AbdAmmar
c9caec5f7e added Mu_Nu Jastrow 2024-02-04 13:22:26 +01:00
AbdAmmar
9e1b2f35d3 added Charge_Harmonizer for numerical integrals 2024-02-01 08:57:07 +01:00
AbdAmmar
cc334b34b7 opt in 1e-Jast & fixed bug in pseudo_inv
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2024-01-26 19:50:18 +01:00
AbdAmmar
3cab869c2d optim in 1e-Jastrow 2024-01-25 22:12:26 +01:00
AbdAmmar
9b2ba694d9 Improved AosxAos representations of 1e-Jastrow 2024-01-24 19:25:17 +01:00
AbdAmmar
bb8dd171b8 Charge_Harmonizer_AO: OK 2024-01-23 13:25:16 +01:00
AbdAmmar
ba73d91fd3 AOs deb 2024-01-18 12:10:49 +01:00
AbdAmmar
8534b5c104 fixed bug for env_type = None 2024-01-17 19:23:24 +01:00
Abdallah Ammar
35a773ef7e j1e + j2e added properly 2024-01-17 11:10:28 +01:00
AbdAmmar
bab59335f3 debuging 1e-Jastrow 2024-01-17 06:11:06 +01:00
AbdAmmar
3dd43d5bba fit of j1e in AO basis looks very different 2024-01-17 01:59:15 +01:00
AbdAmmar
430606a617 added fit 1e-Jastrow on AOs 2024-01-16 23:10:44 +01:00
AbdAmmar
7bcc963a32 homogenisation avec qmch=chem 2024-01-16 19:07:20 +01:00
AbdAmmar
da7edff3b7 added README for Jastrow 2024-01-16 00:02:25 +01:00
AbdAmmar
c3c65927ca added charge-harmonizer one-body Jastrow 2024-01-15 23:35:26 +01:00
AbdAmmar
fbcd70db2c hamiltonian -> jastrow 2024-01-15 19:02:05 +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
AbdAmmar
a6c26a75e9 Merge branch 'QuantumPackage-dev-stable' into dev-stable-tc-scf 2023-12-23 09:26:29 +01:00
Anthony Scemama
bcdc172aec Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable 2023-11-10 14:34:25 +01:00
Anthony Scemama
b95c8142a5 Moved many modules in plugins/local for quicker installation 2023-11-07 10:27:34 +01:00