LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-29 19:54:46 +02:00
Code Releases Activity
1,616 Commits 33 Branches 18 Tags
Commit Graph

7 Commits

Author SHA1 Message Date
eginer
23ec3ba18a trying to prune grid points per AO couples 2022-12-12 16:49:31 +01:00
AbdAmmar
06a2f32b1d fixed bugs + cleaning in TC-SCF DIIS 2022-12-08 00:35:40 +01:00
eginer
fb87d3f012 added the 3body contribution in the energy for TCSCF
Some checks failed
continuous-integration/drone/push Build is failing
Details
2022-11-19 17:07:21 +01:00
eginer
42b17e6e3f moved the jastrow parameters to tc_keywords 2022-10-24 17:07:30 +02:00
AbdAmmar
fccf2fe438 new jast added in QP 2022-10-21 23:27:51 +02:00
AbdAmmar
ad01d2b2e4 v0 of new Jast added 2022-10-20 12:00:06 +02:00
eginer
bdce53d8b1 added many files and did a lot of documentation for bi-ortho scf
Some checks failed
continuous-integration/drone/push Build is failing
Details
2022-10-05 00:05:22 +02:00