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mirror of https://github.com/QuantumPackage/qp2.git synced 2025-05-05 22:55:08 +02:00

Default Branch

64e5ab272f · Update Ubuntu in CI · Updated 2025-04-20 01:26:47 +02:00

Branches

1513169b87 · It woooooorks with ao_transfo_matrix · Updated 2025-04-30 16:14:41 +02:00

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772698f9a9 · Merge branch 'master' into dev-stable · Updated 2025-04-20 01:34:03 +02:00

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5a591f5240 · Fix segfault in scf · Updated 2025-01-24 20:13:32 +01:00

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11b6525996 · Fix deallocation pt2_serialized · Updated 2025-01-24 19:08:38 +01:00

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9750ade130 · fixed conflict in fock_matrix file · Updated 2024-09-28 13:56:40 +02:00

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550c58e909 · fixed bug in pbc pyscf converter for all-electron calculations · Updated 2024-07-19 00:06:35 +02:00

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112f113ccb · fixed forgotten stuffs in normal_order_old/NEED · Updated 2024-05-21 12:26:30 +02:00

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

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

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

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

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c341718982 · fixed the 10.hf.bats · Updated 2023-02-07 13:23:00 +01:00

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6be30d297b · Fixed SCF tests · Updated 2023-02-03 11:35:59 +01:00

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

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

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

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d09e3e7308 · minor modifs to merge · Updated 2022-09-30 16:22:18 +02:00

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

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csf

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

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

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