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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00

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38481ad2c0 · Fix mmap when qp set_file has not been called · Updated 2024-10-18 16:49:26 +02:00

Branches

88c49a03ce · Fixed qp_import_trexio.py · Updated 2024-12-18 17:01:31 +01:00

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torus
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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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dev-spher_harm
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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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macos
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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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dev-stable-tc-scf
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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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dev-stable-rdm
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46dfb551a8 · modified the factor two in rdm · Updated 2023-03-04 13:07:12 +01:00

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

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

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

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

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

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

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trexio
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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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a6e70c1c5f · Fix space in size for EZFIO.cfg · Updated 2020-10-15 18:01:58 +02:00

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ed8b20ba0c · provider for off-diagonal selection weights · Updated 2020-09-14 20:02:57 +02:00

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43c7696001 · pass is_complex as argument to pt2_type_size · Updated 2020-09-11 18:31:45 +02:00

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