|
|
4f41af9e31
|
Four-idx transformation
|
2018-07-20 16:10:20 +02:00 |
|
|
|
c1a53f40e8
|
Added MatrixOnBasis
|
2018-06-13 19:03:42 +02:00 |
|
|
|
9e5933f0d0
|
Introduced AOBasis
|
2018-06-13 17:49:58 +02:00 |
|
|
|
5ed5d91a9d
|
Introduced shell pair couples
|
2018-03-21 17:28:13 +01:00 |
|
|
|
0da6453453
|
Cleaning
|
2018-03-20 15:16:24 +01:00 |
|
|
|
5d73ec5144
|
ContractedAtomicShell
|
2018-03-20 14:11:31 +01:00 |
|
|
|
7cccb60549
|
ShellPair option
|
2018-03-15 19:35:10 +01:00 |
|
|
|
786b680f40
|
ContractedShell has now a hidden type
|
2018-03-13 18:56:28 +01:00 |
|
|
|
e54a5e034a
|
Hash table for zkey_array
|
2018-03-13 18:24:00 +01:00 |
|
|
|
47a85dec71
|
CLeaning Zkey
|
2018-02-25 01:40:12 +01:00 |
|
|
|
24d2eb7e47
|
Documentation
|
2018-02-25 00:53:09 +01:00 |
|
|
|
8918f49302
|
Documentation
|
2018-02-24 23:57:38 +01:00 |
|
|
|
d7d018b3ea
|
Cleaning
|
2018-02-23 16:40:35 +01:00 |
|
|
|
5fd94119f6
|
Working on HF
|
2018-02-21 17:06:24 +01:00 |
|
|
|
34edda6317
|
Working {x;y;z;tot}
|
2018-02-19 17:32:44 +01:00 |
|
|
|
730f6a9e3f
|
Introduces Simulation
|
2018-02-09 00:37:25 +01:00 |
|
|
|
eeb4f9f52c
|
Introducing contracted shell pairs
|
2018-02-07 17:07:05 +01:00 |
|
|
|
5b4d49773d
|
Documentation
|
2018-02-06 18:12:19 +01:00 |
|
|
|
cccf8d40b0
|
Fixed Overlap
|
2018-02-06 16:33:28 +01:00 |
|
|
|
2877a9d492
|
Nuclear Integrals OK
|
2018-02-06 12:02:00 +01:00 |
|
|
|
db46395e4e
|
Working on Nuc
|
2018-02-05 23:31:46 +01:00 |
|
|
|
6b83e80572
|
Working on Nuclear ints
|
2018-02-04 23:46:06 +01:00 |
|
|
|
925cdf693f
|
Working on Nuclear integrals
|
2018-02-03 23:26:20 +01:00 |
|
