|
|
3530cb67d1
|
Bug when saving excited states solevd
|
2015-02-12 16:36:41 +01:00 |
|
|
|
e93477c205
|
Better qp_edit.ml for errors in determinants
|
2015-01-08 00:19:51 +01:00 |
|
|
|
0b40cf663a
|
Improved qp_edit
|
2014-11-27 23:05:26 +01:00 |
|
|
|
17b4438313
|
Corrected Input_determinants.ml
|
2014-11-14 11:06:31 +01:00 |
|
|
|
a700718078
|
qp_edit fails better
|
2014-11-12 17:17:44 +01:00 |
|
|
|
fb2b7966e1
|
Determinants check the nb of alpha and beta electrons
|
2014-11-04 00:10:17 +01:00 |
|
|
|
2e895b85a4
|
Input_determinants is written by qp_edit
|
2014-11-03 23:08:46 +01:00 |
|
|
|
aa682e3311
|
Accelerated EZFIO in ocaml. === UPDATE EZFIO to 1.1.9 ===
|
2014-11-03 17:37:16 +01:00 |
|
|
|
57b3a7702b
|
Determinants are read from rst file
|
2014-11-03 15:37:02 +01:00 |
|
|
|
6716a996cd
|
Less EZFIO I/O
|
2014-10-30 16:26:31 +01:00 |
|
|
|
ea1a4523c1
|
Added ~mo_tot_num in MO_number.of_int
|
2014-10-30 12:25:20 +01:00 |
|
|
|
beb5e55481
|
Introduces Rst_string type
|
2014-10-29 22:13:03 +01:00 |
|
|
|
b74a8f1035
|
Working on qp_edit
|
2014-10-29 00:12:45 +01:00 |
|
|
|
82a285774c
|
Bug in psi_det N_det psi_coef
|
2014-10-28 17:16:51 +01:00 |
|
|
|
0a9de3c23a
|
Added s-expressions (sexplib)
|
2014-10-25 21:24:21 +02:00 |
|
|
|
abb8967d63
|
Added Input_hartree_fock.ml
|
2014-10-22 00:12:23 +02:00 |
|
|
|
ede29e4284
|
Added Input_full_ci.ml
|
2014-10-21 23:32:47 +02:00 |
|
|
|
7f76f8e2c6
|
Added Input_determinants.ml
|
2014-10-20 12:19:12 +02:00 |
|
