|
|
a85f1212f3
|
A lot of renaming
|
2019-01-05 01:58:19 +01:00 |
|
|
|
a4344fc41f
|
Removed threshold_selectors
|
2018-12-19 16:03:21 +01:00 |
|
|
|
8eed3cc30f
|
Check memory
|
2018-12-13 16:54:28 +01:00 |
|
Anthony Scemama
|
8f89e3d239
|
Nocurl (#75)
* Documentation
* Improved qp_set_frozen_core
* Changed all ishft
* New install script OK
* Variable level shift in HF
|
2018-11-20 11:33:07 +01:00 |
|
|
|
ab0eb1256b
|
Fixed state_average_weight.gz different from array
|
2018-02-15 12:00:45 +01:00 |
|
|
|
5f6349e7ac
|
Generalized Davdison for dressed methods
|
2018-02-08 17:48:47 +01:00 |
|
|
|
49d85cf27c
|
State-average weights and Zsh fix
|
2017-12-21 22:59:27 +01:00 |
|
|
|
8523096a90
|
Modified for ocaml 4.04
|
2017-08-18 18:28:33 +02:00 |
|
|
|
06efe7ca16
|
Added -state option to qp_edit
|
2017-04-12 14:46:12 +02:00 |
|
|
|
51cff0d890
|
Truncate wave function with -ndet flag of qp_edit
|
2017-04-12 13:15:44 +02:00 |
|
|
|
a30a00bab9
|
Moved n_states_diag
|
2016-09-25 23:28:25 +02:00 |
|
|
|
6b3ba6a99e
|
Fixed QMCPACK bugs (Issue #154)
|
2016-03-07 20:13:43 +01:00 |
|
|
|
5dd55ffab9
|
Corrected bug in qp_edit determinants
|
2016-03-04 11:58:22 +01:00 |
|
|
|
b019cd04f0
|
Only 10k determinants max in qp_edit
|
2016-02-22 23:33:30 +01:00 |
|
|
|
f71fa7ff6b
|
Reduced memory in qp_edit
|
2016-02-19 23:53:23 +01:00 |
|
|
|
32208d35f9
|
Using streams in determinants
|
2016-02-19 23:46:16 +01:00 |
|
|
|
e4043cda0d
|
Accelerated qp_edit with large multi-determinant wave functions
|
2016-02-19 22:16:17 +01:00 |
|
|
|
20a857c446
|
Distributed PT2
|
2016-02-19 00:20:28 +01:00 |
|
|
|
5470e05913
|
Added target_pt2_qmc
|
2015-10-19 17:28:08 +02:00 |
|
Thomas Applencourt
|
3b59fca0c7
|
Add EZFIO.cfg in determinants
|
2015-04-20 15:20:38 +02:00 |
|
