Yann Garniron
|
9a515ed0b6
|
better microlist
|
2015-12-17 22:06:57 +01:00 |
|
Yann Garniron
|
786e2989d1
|
init microlist
|
2015-12-16 15:05:57 +01:00 |
|
|
|
a9b9b6961c
|
removed -msse4_2 from gfortran config file
|
2015-11-20 09:05:12 +01:00 |
|
|
|
9b03a9d2c7
|
Merge branch 'i_H_psi' of https://github.com/garniron/quantum_package into garniron-i_H_psi
Conflicts:
config/gfortran.cfg
|
2015-11-20 01:11:19 +01:00 |
|
|
|
8011692042
|
Corrected bug in pseudo
|
2015-11-20 01:04:38 +01:00 |
|
Yann Garniron
|
a3fd3ba617
|
simple untested minilist for all perturbations
|
2015-11-19 17:16:24 +01:00 |
|
|
|
f80b6d0b0f
|
Replaced QP_ROOT by in configure
|
2015-11-19 15:56:46 +01:00 |
|
Yann Garniron
|
132c74e60b
|
minilist simple pour epstein 2x2
|
2015-11-19 15:06:56 +01:00 |
|
Yann Garniron
|
1064e7470b
|
no more connected_to_ref in mrcc_dress + cleaning
|
2015-10-29 11:40:11 +01:00 |
|
Yann Garniron
|
d1c1ae8cb4
|
connected_to_ref
|
2015-10-23 17:10:04 +02:00 |
|
Anthony Scemama
|
26f5d4fdd1
|
Update gfortran.cfg
|
2015-10-17 15:59:22 +02:00 |
|
|
|
fa8a983681
|
Removed -mavx
|
2015-10-17 15:50:17 +02:00 |
|
Yann Garniron
|
bbbc72341a
|
minilist primitive/tri par alpha en cours
|
2015-10-16 13:06:19 +02:00 |
|
|
|
58ada7058f
|
Sort gitignore to avoid stupid conflicts
|
2015-07-04 00:11:06 +02:00 |
|
|
|
0aff5aa468
|
Pseudo-Corrected NaN in pseudo-potentials
|
2015-07-03 15:42:12 +02:00 |
|
|
|
cc744730db
|
Cleaned MRCC
|
2015-07-03 14:42:55 +02:00 |
|
|
|
3386f90af4
|
QP_ROOT substitution in configure
|
2015-07-01 19:40:39 +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 |
|
Manu
|
ee81a80368
|
Beginning the merge with qp old
|
2015-06-29 10:35:29 +02:00 |
|
|
|
9548cf14d4
|
Work on QMC=Chem interface
|
2015-06-21 23:08:18 +02:00 |
|
|
|
f15c6583ec
|
-I . is important for gfortran
|
2015-06-17 10:49:43 +02:00 |
|
|
|
0f19d8514e
|
gfortran options
|
2015-06-11 17:26:05 +02:00 |
|
|
|
022e117873
|
Corrected Doc and travis for building
|
2015-06-09 11:02:45 +02:00 |
|
Thomas Applencourt
|
7a0dd7a399
|
Solve bug in gfortran. Need to add -I . But now we have warning...
|
2015-06-03 11:32:10 +02:00 |
|
Thomas Applencourt
|
5812341787
|
Add ninja suport in gfortran config file
|
2015-06-03 10:51:32 +02:00 |
|
Thomas Applencourt
|
4f1335ee86
|
Add irpf90 flag to gfortran.cfg
|
2015-06-03 09:49:49 +02:00 |
|
Thomas Applencourt
|
86af9c84fe
|
Modify ifort_exemle.cfg
|
2015-06-02 15:46:24 +02:00 |
|
Thomas Applencourt
|
5f0883c05c
|
Fix cache_compile.py and ninja make all the binary
|
2015-05-28 12:03:14 +02:00 |
|
Thomas Applencourt
|
a48f089990
|
Better config_gfortran
|
2015-05-27 17:50:51 +02:00 |
|
