|
fea4176820
|
save
|
2017-07-03 15:31:03 +02:00 |
|
|
ea70831a90
|
Fixed assert
|
2017-05-18 14:36:06 +02:00 |
|
|
3d51dde718
|
ASSERT Fixed
|
2017-05-16 15:32:48 +02:00 |
|
|
767074ab95
|
Added runtime checks
|
2017-05-16 09:17:16 +02:00 |
|
|
e1b090b76b
|
Fixed selection
|
2017-05-10 20:42:14 +02:00 |
|
|
cbf8c54d70
|
Parallelization of Davidson
|
2017-04-19 19:45:18 +02:00 |
|
|
69a747fde0
|
Tuned N_int
|
2017-04-19 13:06:54 +02:00 |
|
|
dc5e5f024d
|
fixed Davidson
|
2017-04-18 16:25:37 +02:00 |
|
|
6b49eb5906
|
Fixed Davidson
|
2017-04-18 15:27:26 +02:00 |
|
|
fd2f7f3447
|
Changed defaults in Davidson
|
2017-04-18 00:32:22 +02:00 |
|
|
3b2d23c745
|
Fixed CSC
|
2017-04-18 00:18:59 +02:00 |
|
|
a888564851
|
CSC storage for singles alpha
|
2017-04-18 00:17:16 +02:00 |
|
|
9e454d267b
|
CSC storage for singles alpha
|
2017-04-18 00:02:01 +02:00 |
|
|
fd882fc0c9
|
Radix sort for negative numbers
|
2017-04-17 22:59:12 +02:00 |
|
|
dc2481c966
|
Less memory in Davdison
|
2017-04-17 03:58:02 +02:00 |
|
|
30d529aeb2
|
Less memory in Davdison
|
2017-04-17 02:54:19 +02:00 |
|
|
9d3d843bc7
|
Debugged Davidson for large Ndet
|
2017-04-16 01:28:35 +02:00 |
|
|
fd6af192b2
|
Davidson OK
|
2017-04-15 01:07:38 +02:00 |
|
|
7a09448f62
|
OpenMP davidson
|
2017-04-14 18:11:02 +02:00 |
|
|
923eec3c25
|
OpenMP davidson
|
2017-04-14 16:49:08 +02:00 |
|
|
3a824d5d0a
|
New Davidson OK
|
2017-04-14 15:04:29 +02:00 |
|
|
77f38a94a2
|
working on davidson
|
2017-04-14 11:09:55 +02:00 |
|
|
7af4c3705b
|
Fixed travis
|
2017-04-12 16:07:29 +02:00 |
|
|
7c8506386f
|
Same spin OK
|
2017-04-02 16:42:32 +02:00 |
|
|
f5903b960c
|
Debug in davidson
|
2017-04-01 00:14:09 +02:00 |
|
|
d8b5cd06a6
|
Optimized get_spin_single_excitations
|
2017-03-30 15:26:29 +02:00 |
|
|
60164de0c0
|
Accelerated selection
|
2017-03-30 01:13:27 +02:00 |
|
|
b4d6779d8c
|
Super fast density matrix
|
2017-03-13 12:38:22 +01:00 |
|
|
7cb17e0a48
|
Super fast density matrix
|
2017-03-13 12:27:13 +01:00 |
|
Yann Garniron
|
33bd506328
|
working mrcc
|
2016-05-20 09:44:22 +02:00 |
|
|
20a857c446
|
Distributed PT2
|
2016-02-19 00:20:28 +01:00 |
|
|
1e15823494
|
Added guess_lowest_state
|
2015-11-12 01:08:04 +01:00 |
|
|
5409607372
|
Accelerated pseudopotentials
|
2015-10-17 02:19:36 +02:00 |
|
|
24faf493f3
|
Changed psi_svd into psi_bilinear
|
2015-07-30 16:05:28 +02:00 |
|
|
e23dba89ba
|
Accelerated MRCC
|
2015-07-29 18:27:07 +02:00 |
|
|
95cf564898
|
Lowercase in ocaml
|
2015-07-24 11:23:54 +02:00 |
|
|
05124ab5d4
|
Cleaned MRCC in MRCC_Utils
|
2015-07-13 18:00:38 +02:00 |
|
|
bfddb4f9d9
|
Added EZFIO.cfg and s2_eig test in diag
|
2015-05-06 15:05:08 +02:00 |
|
|
ac285a09d9
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2015-05-04 19:24:25 +02:00 |
|
Thomas Applencourt
|
bf997c5583
|
Add all the mising file...
|
2015-04-20 18:42:52 +02:00 |
|