|
|
9660eed87f
|
Preparing tests for Erf integrals
|
2020-03-26 16:24:41 +01:00 |
|
|
|
bb8654b17c
|
Debugging
|
2019-11-20 16:42:28 +01:00 |
|
|
|
08e41378dd
|
Rephasing
|
2019-11-14 10:58:57 +01:00 |
|
|
|
aec8128889
|
Better guess
|
2019-03-05 01:12:13 +01:00 |
|
|
|
c9c039c2fe
|
Improved Huckel guess
|
2019-03-05 00:55:08 +01:00 |
|
|
|
b72a1e251e
|
Added Hartree-Fock guess with projection
|
2019-03-04 19:01:54 +01:00 |
|
|
|
b83b23913e
|
ROHF OK
|
2019-02-26 12:05:14 +01:00 |
|
|
|
ccb4967993
|
Cleaned AO Basis
|
2019-02-20 18:24:44 +01:00 |
|
|
|
955f9d014b
|
Added tests for AOBasis
|
2018-07-05 00:39:44 +02:00 |
|
|
|
125e5dac4c
|
Introduced Alcotest
|
2018-07-04 20:24:57 +02:00 |
|
|
|
e4a3e1da97
|
Fixed overflow in Boys function
|
2018-06-27 13:13:59 +02:00 |
|
|
|
c1a53f40e8
|
Added MatrixOnBasis
|
2018-06-13 19:03:42 +02:00 |
|
|
|
9e5933f0d0
|
Introduced AOBasis
|
2018-06-13 17:49:58 +02:00 |
|
|
|
3482e02695
|
Working on DIIS
|
2018-05-31 16:46:45 +02:00 |
|
