LCPQ/qp2
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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 19:13:29 +01:00
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1,624 Commits 30 Branches 18 Tags 80 MiB
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10 Commits

Author SHA1 Message Date
Abdallah Ammar
402a6e8988 added jast_type 0 2023-05-07 12:44:59 +02:00
AbdAmmar
207e52d220 fixed bug in TC integrals 2023-04-26 08:52:06 +02:00
Abdallah Ammar
333d8a551c v0 tc integ numericall with DGEMM 2023-04-21 20:50:00 +02:00
eginer
bcaca2bab1 Merge branch 'dev-stable-tc-scf' of https://github.com/QuantumPackage/qp2 into dev-stable-tc-scf
Some checks reported errors
continuous-integration/drone/push Build was killed
Details
2023-03-29 15:48:11 +02:00
eginer
6d7d7ccfb4 set the threshold_cycle to 1e-10 by default 2023-03-29 15:47:59 +02:00
Anthony Scemama
7e617bee13 COLLAPSE 2023-03-28 13:24:28 +02:00
Abdallah Ammar
4a23b63a42 Merge branch 'dev-stable' into dev-stable-tc-scf 2023-03-04 14:33:43 +01:00
Abdallah Ammar
6e7ca02ed1 bi_ort_ints: combined 2023-03-04 02:31:04 +01:00
eginer
b2e43b7995 minor changes in documentations of mo_bi_orth_bipole 2023-02-27 11:44:35 +01:00
eginer
2ec8b1f34c added missing bi_ort_ints 2023-02-07 13:27:19 +01:00