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 |
|