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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 03:53:29 +01:00
Commit Graph

10 Commits

Author SHA1 Message Date
Abdallah Ammar
674635c057 remove double counting of nuclear repulsion 2024-08-27 15:23:42 +02:00
eginer
31028f8979 fixed some weird dependencies in TC, introduced an AO cholesky 2e function 2024-07-16 17:44:48 +02:00
eginer
42fdb3c435 it works with new routines for pt2 tc 2024-05-07 21:00:19 +02:00
eginer
687259c25f working on the matrix elements both 2024-05-07 20:32:48 +02:00
eginer
366afb2933 compiling after some cleaning 2024-05-06 18:58:12 +02:00
eginer
109a956f0d does not compile but working on it 2024-05-06 18:30:05 +02:00
Abdallah Ammar
bd8d45b99b FIXED BUG IN OPTIM J_BH 2024-05-02 17:18:45 +02:00
Abdallah Ammar
d43d960b1a TC-SCF CLEANED 2024-05-01 23:10:18 +02:00
eginer
40ea886cf1 added NEED in local/slater_tc 2024-05-01 19:00:02 +02:00
eginer
f35bc23036 Begining to make some cleaning in TC 2024-04-25 19:48:17 +02:00