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2,146 Commits 32 Branches 18 Tags 74 MiB
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2146 Commits

Author SHA1 Message Date
Anthony Scemama 22ed2e8baf Fixed configure problem 2023-11-07 10:40:56 +01:00
Anthony Scemama b95c8142a5 Moved many modules in plugins/local for quicker installation 2023-11-07 10:27:34 +01:00
Pierre-Francois Loos 8ceb5734aa remove non standard characters
continuous-integration/drone/push Build is failing Details
2023-10-30 11:43:03 +01:00
Abdallah Ammar 9fc4b6d63b v0 of tc-dRPA 2023-10-28 21:53:04 +02:00
AbdAmmar 01a77edd36
Merge pull request #28 from QuantumPackage/dev-stable 
Dev stable
 2023-10-28 00:20:31 +02:00
AbdAmmar 4745c73c8f
Merge pull request #27 from AbdAmmar/dev-stable-tc-scf 
Dev stable tc scf
 2023-10-28 00:19:13 +02:00
Anthony Scemama 280940dd11
Merge branch 'master' into dev-stable 2023-10-26 15:09:02 +02:00
Anthony Scemama bae76e9243 Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable 2023-10-26 15:06:57 +02:00
Anthony Scemama ec282e5b5d Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable 2023-10-26 15:06:40 +02:00
eginer 3f38c0a9da Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable 2023-10-25 19:29:20 +02:00
eginer c895000b45 beginning to tests mu(r) 2023-10-25 19:29:11 +02:00
eginer 88010afecd added jastrow mu(r) which seems to work 2023-10-25 15:11:34 +02:00
Anthony Scemama 9ff4f2437c
Merge pull request #307 from QuantumPackage/dev-stable
continuous-integration/drone/push Build is failing Details 
Dev stable
 2023-10-23 15:30:52 +02:00
Anthony Scemama 6b4b7afbe4
Merge branch 'macos' into dev-stable 2023-10-23 15:30:35 +02:00
Anthony Scemama 2eab7ed0c6
Merge pull request #297 from QuantumPackage/dev-stable
continuous-integration/drone/tag Build is failing Details
continuous-integration/drone/push Build is failing Details 
Dev stable
 2023-10-23 15:23:43 +02:00
Anthony Scemama b78bbda53b Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable 2023-10-19 23:35:51 +02:00
Anthony Scemama 3fe01fe503 Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing Details
2023-10-19 17:51:27 +02:00
Anthony Scemama 06b8370e42 Update irpf90 2023-10-19 17:51:17 +02:00
Anthony Scemama aa9ad710a9 add lib64 to library_path 2023-10-19 17:42:27 +02:00
Abdallah Ammar f437a84adb Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf 2023-10-18 23:53:50 +02:00
Abdallah Ammar 1b7463b86b fixed sgn error in jast_deriv 2023-10-18 23:53:47 +02:00
AbdAmmar 6fba691382
Merge pull request #26 from QuantumPackage/dev-stable 
Dev stable
 2023-10-18 23:53:14 +02:00
AbdAmmar edecd3487d
Merge branch 'dev-stable-tc-scf' into dev-stable
continuous-integration/drone/push Build is failing Details
2023-10-18 23:53:01 +02:00
Anthony Scemama 436e552cf8 Merge branch 'dev-stable' of github.com:quantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing Details
2023-10-18 09:09:49 +02:00
Anthony Scemama 7369b1488b Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable 2023-10-18 09:08:57 +02:00
Anthony Scemama a3db8bb242 Fix ezfio save 2023-10-18 09:08:37 +02:00
Anthony Scemama 50800f41c3 Fixing tests
continuous-integration/drone/push Build is failing Details
2023-10-18 00:13:10 +02:00
Anthony Scemama 16565bbda4 Fixing tests 2023-10-17 23:35:14 +02:00
Anthony Scemama d4d42f2851 Fixing tests
continuous-integration/drone/push Build is failing Details
2023-10-17 17:52:43 +02:00
Anthony Scemama b911b8d279 Merge branch 'dev-stable' of github.com:quantumpackage/qp2 into dev-stable 2023-10-17 00:28:59 +02:00
Anthony Scemama c7599febfb Fix bug in Jastrow 2023-10-17 00:28:47 +02:00
Anthony Scemama 14d5268d1b Fixing compilation 2023-10-16 16:37:08 +02:00
Anthony Scemama ad498b073e Added use_only_lr for long-range only integrals
continuous-integration/drone/push Build is failing Details
2023-10-16 16:29:28 +02:00
Anthony Scemama 8b34372baa Merged erf modules, and moved mu_erf into hamiltonian module 2023-10-16 16:18:58 +02:00
Anthony Scemama 676d5c3a73 Fixed missing variables in openmp block
continuous-integration/drone/push Build is failing Details
2023-10-15 14:01:49 +02:00
AbdAmmar fb98da5fb4
Merge pull request #25 from QuantumPackage/dev-stable 
Dev stable
 2023-10-15 09:42:50 +02:00
Anthony Scemama 4257185f12 Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing Details
2023-10-13 15:10:55 +02:00
Anthony Scemama a4a799837b Fix natorb with numerical integrals of Jastrow 2023-10-13 15:10:51 +02:00
eginer 8a02620908 minor modif
continuous-integration/drone/push Build is failing Details
2023-10-12 16:15:17 +02:00
eginer a64d02ab42 trying to work on natorb
continuous-integration/drone/push Build is failing Details
2023-10-11 15:45:51 +02:00
eginer 413327188e Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable 2023-10-11 14:06:57 +02:00
Anthony Scemama bce700526d Better behavior when DSYGV Failed
continuous-integration/drone/push Build is failing Details
2023-10-11 10:24:55 +02:00
Anthony Scemama 999839b839 Fixed reversed order in print of extrapolation 2023-10-11 09:42:10 +02:00
eginer d9b2298d9a improved casscf and added README.rst 2023-10-06 15:36:38 +02:00
eginer 1739ec4f4a added some mcscf fock printing 2023-10-06 14:50:17 +02:00
Anthony Scemama 106a2eafff Update qmckl
continuous-integration/drone/push Build is failing Details
2023-10-06 11:46:24 +02:00
eginer 2b62bfc999 working on casscf_cipsi 2023-10-06 11:28:20 +02:00
Anthony Scemama b5f1116fca Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing Details
2023-10-05 15:05:07 +02:00
Anthony Scemama aefd81dffe Updated EZFIO 2023-10-05 15:05:01 +02:00
eginer dbd0f16307 Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing Details
2023-10-03 20:04:58 +02:00