|
|
8ca2815964
|
Added CAS+S
|
2015-11-25 11:49:42 +01:00 |
|
|
|
26d02019ed
|
Added MP2 wave function
|
2015-11-20 13:03:15 +01:00 |
|
|
|
f80b6d0b0f
|
Replaced QP_ROOT by in configure
|
2015-11-19 15:56:46 +01:00 |
|
|
|
f82605fb8a
|
Add g++ dependency for Ninja in configure
|
2015-10-30 13:54:58 +01:00 |
|
|
|
979aa6a793
|
Bug in get_excitation_degree_vector
|
2015-09-19 01:37:44 +02:00 |
|
|
|
e31f162e5b
|
English in configure
|
2015-09-18 22:23:45 +02:00 |
|
|
|
d071a9e395
|
Fixed ninja bug
|
2015-09-08 16:42:50 +02:00 |
|
|
|
a55b3cb651
|
Merged with Manu MRCC
|
2015-09-08 16:37:46 +02:00 |
|
|
|
01699dd0c1
|
i_H_j_phase_out missing in previous commit
|
2015-07-28 18:57:43 +02:00 |
|
Thomas Applencourt
|
e4d2eda17f
|
Add python
|
2015-07-21 10:11:12 +02:00 |
|
Thomas Applencourt
|
99444757b1
|
Epic merge for the doc...
|
2015-07-16 15:44:51 +02:00 |
|
Thomas Applencourt
|
c38e042781
|
Fix graphiz dl format archive
|
2015-07-16 10:53:40 +02:00 |
|
Thomas Applencourt
|
c7c9243c21
|
Fix README and graphiz
|
2015-07-16 10:40:57 +02:00 |
|
|
|
0aff5aa468
|
Pseudo-Corrected NaN in pseudo-potentials
|
2015-07-03 15:42:12 +02:00 |
|
Thomas Applencourt
|
f93eeac8e2
|
Realy fix #84
|
2015-07-03 12:35:24 +02:00 |
|
Thomas Applencourt
|
09da801b1d
|
Fix #87
|
2015-07-03 12:18:02 +02:00 |
|
Thomas Applencourt
|
7553b0877c
|
Remove the raise, for only show the 'source message' / cleaning configure
|
2015-07-02 09:40:21 +02:00 |
|
|
|
66e7409980
|
QP_ROOT substitution in configure
|
2015-07-01 19:29:08 +02:00 |
|
|
|
7dcc82c223
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2015-06-30 10:46:53 +02:00 |
|
|
|
b3996d7b4d
|
Minor changes
|
2015-06-30 10:46:50 +02:00 |
|
Thomas Applencourt
|
5b708a5225
|
Update install irp
|
2015-06-24 11:58:21 +02:00 |
|
Thomas Applencourt
|
aeac23b6f4
|
Bash to call irpf90 -v
|
2015-06-23 16:04:37 +02:00 |
|
Thomas Applencourt
|
c85a288605
|
Working
|
2015-06-23 16:01:44 +02:00 |
|
Thomas Applencourt
|
6d4c22a2b0
|
check irp version...
|
2015-06-23 15:23:45 +02:00 |
|
|
|
f15c6583ec
|
-I . is important for gfortran
|
2015-06-17 10:49:43 +02:00 |
|
|
|
8d35cf1425
|
configure
|
2015-06-16 14:52:20 +02:00 |
|
|
|
5be8d24ad2
|
configure
|
2015-06-16 14:43:24 +02:00 |
|
|
|
9ead8acdb7
|
Spelling
|
2015-06-16 14:35:16 +02:00 |
|
|
|
0f19d8514e
|
gfortran options
|
2015-06-11 17:26:05 +02:00 |
|
|
|
96a16cc46e
|
Little changes
|
2015-06-11 16:25:35 +02:00 |
|
