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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-28 07:13:44 +01:00
Commit Graph

15 Commits

Author SHA1 Message Date
Abdallah Ammar
df1c27c767 Optim in int2_grad1_u12_bimo_t 2024-08-08 12:47:47 +02:00
Abdallah Ammar
84445aa591 Combine calculation of Left & RIGHT MOs in r 2024-08-08 11:39:42 +02:00
eginer
687259c25f working on the matrix elements both 2024-05-07 20:32:48 +02:00
eginer
b7787f5e6d trying to speed up the PT2 in TC by transposing the array of tc integrals 2024-05-07 19:43:05 +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
Abdallah Ammar
c50018e8bd TC SPRING CLEANING: BEGINNING 2024-05-01 20:25:01 +02:00
AbdAmmar
88e0b5fc74
Merge branch 'dev-stable' into dev-stable 2024-05-01 18:54:03 +02:00
eginer
f35bc23036 Begining to make some cleaning in TC 2024-04-25 19:48:17 +02:00
AbdAmmar
1a36d974b0 saving lcpq-ampere 2024-04-07 00:43:44 +02:00
AbdAmmar
83ed57312d few modif in ao tc integ 2024-03-19 17:23:41 +01:00
AbdAmmar
1dbde56439 O(N4) -> O(N3) transformations 2024-03-13 07:04:54 +01:00
AbdAmmar
d405aea957 few mom opt 2024-03-11 10:21:59 +01:00
AbdAmmar
ef60141fbf new keywords for Jastrow 2024-01-15 12:02:38 +01:00
b95c8142a5 Moved many modules in plugins/local for quicker installation 2023-11-07 10:27:34 +01:00