|
|
33e8f41268
|
Save wavefunction
|
2014-06-07 22:07:50 +02:00 |
|
|
|
f21604e6fb
|
Merge branch 'master' of github.com:LCPQ/quantum_package
|
2014-05-24 03:46:33 +02:00 |
|
|
|
64a14b52e9
|
Selection and perturbation work. Introduced new tests.
|
2014-05-24 02:39:18 +02:00 |
|
|
|
62811d792b
|
Bug in Lowdin orthonormalization openMP
|
2014-05-21 18:35:14 +02:00 |
|
Manu
|
3b18250977
|
CIS(DT) works
|
2014-05-19 18:35:56 +02:00 |
|
|
|
098a386411
|
Merge lpqlx139:/home/scemama/quantum_package
|
2014-05-16 23:49:25 +02:00 |
|
|
|
c6d740bb89
|
Merge branch 'master' of github.com:LCPQ/quantum_package
Conflicts:
src/BiInts/ao_bi_integrals.irp.f
|
2014-05-16 23:48:47 +02:00 |
|
|
|
a13266008b
|
Details
|
2014-05-16 23:48:25 +02:00 |
|
|
|
13ee3531ee
|
Acceleration of filter_connected and Davidson
|
2014-05-16 09:42:28 +02:00 |
|
|
|
3e7c65d858
|
Updated documentation
|
2014-05-14 00:01:31 +02:00 |
|
|
|
b02cfe8dc3
|
CISD OK
|
2014-05-13 13:57:58 +02:00 |
|
|
|
54d0f4161e
|
Corrected OpenMP bugs
|
2014-04-26 01:18:26 +02:00 |
|
|
|
6a9ebb343b
|
Corrected bug in ROHF
|
2014-04-26 00:29:30 +02:00 |
|
|
|
13d4bf8b0e
|
Accelerated Hartree-Fock
|
2014-04-25 22:43:34 +02:00 |
|
|
|
7db8b1eab0
|
Hartree-Fock without MO bielec map
|
2014-04-25 22:36:22 +02:00 |
|
|
|
b9cfe96b17
|
Bug in diag_fock
|
2014-04-25 10:25:05 +02:00 |
|
|
|
c03132b4f9
|
Minor changes in Hartree-Fock
|
2014-04-24 12:31:15 +02:00 |
|
|
|
6ad651c46c
|
Added Hartree-Fock in MO basis
|
2014-04-23 22:10:36 +02:00 |
|
|
|
0764aa259d
|
Added Mono Integrals. Works in openMP
|
2014-04-16 22:16:32 +02:00 |
|
