|
b83b23913e
|
ROHF OK
|
2019-02-26 12:05:14 +01:00 |
|
|
ccb4967993
|
Cleaned AO Basis
|
2019-02-20 18:24:44 +01:00 |
|
|
4dec632e5a
|
Introduced difference of Fock matrices for SCF convergence
|
2018-07-04 19:23:19 +02:00 |
|
|
871cb2b6d8
|
Accelerated SCF
|
2018-07-04 18:42:26 +02:00 |
|
|
26bcd62db4
|
Added small_core function
|
2018-07-04 18:08:38 +02:00 |
|
|
f94a5ac268
|
Nuclei for T2
|
2018-06-29 16:04:40 +02:00 |
|
|
8ded68a447
|
Added stream in Four_idx
|
2018-06-28 14:43:24 +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 |
|
|
15390759f9
|
Accelerated RHF
|
2018-05-31 18:50:34 +02:00 |
|
|
3482e02695
|
Working on DIIS
|
2018-05-31 16:46:45 +02:00 |
|