|
|
f00f11830e
|
Upgraded ZeroMQ
|
2016-06-06 10:56:28 +02:00 |
|
|
|
61daec6ee6
|
Removed all libint stuff
|
2016-06-03 11:12:41 +02:00 |
|
|
|
5da6a5afa1
|
Merge branch 'master' into develop
|
2016-04-16 21:18:44 +02:00 |
|
|
|
eec834be96
|
Print mask
|
2016-04-16 21:18:38 +02:00 |
|
TApplencourt
|
17992cc1ea
|
Add eigen in libint in configure script
|
2016-03-07 18:23:22 +01:00 |
|
|
|
20a857c446
|
Distributed PT2
|
2016-02-19 00:20:28 +01:00 |
|
Thomas Applencourt
|
d93debe2db
|
Update configure
|
2016-02-03 18:01:28 +01:00 |
|
|
|
9d3900c7ee
|
qp_module is now case insensitive
|
2016-01-27 17:15:57 +01:00 |
|
|
|
b72c8a03f6
|
Improved tests
|
2016-01-05 01:04:52 +01:00 |
|
|
|
adc95a3678
|
Merge branch 'master' of https://github.com/TApplencourt/quantum_package into TApplencourt-master
Conflicts:
install/scripts/install_ocaml.sh
testing_no_regression/unit_test.py
|
2016-01-04 10:18:09 +01:00 |
|
TApplencourt
|
86828cc6d6
|
Add bats
|
2015-12-14 08:17:55 +01:00 |
|
TApplencourt
|
97cc7e66e0
|
Fix head in configure
|
2015-12-14 08:16:13 +01:00 |
|
TApplencourt
|
229b7c5bb2
|
Fix travis
|
2015-12-14 08:14:06 +01:00 |
|
TApplencourt
|
c02a7ca735
|
Fix travil
|
2015-12-14 08:13:16 +01:00 |
|
|
|
77adda256a
|
Repaired Download in travis
|
2015-12-11 15:11:43 +01:00 |
|
|
|
9c94916ad1
|
Print error in configure for travis
|
2015-12-11 15:09:19 +01:00 |
|
|
|
c2063fb722
|
Fixed f77zmq.h in configure
|
2015-12-11 14:40:13 +01:00 |
|
|
|
e223b1b7e4
|
Add ZMQ before ocaml install
|
2015-12-08 11:31:02 +01:00 |
|
caffarel
|
df6ca0ee05
|
Downgraded ZeroMQ to 4.0.7
|
2015-12-04 20:02:35 +01:00 |
|
|
|
6b02b622ba
|
Added print in configure for debugging
|
2015-11-25 18:55:06 +01:00 |
|
|
|
c6dd986ad2
|
ZeroMQ installation OK
|
2015-11-25 13:57:40 +01:00 |
|
|
|
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 |
|
TApplencourt
|
e09b749892
|
Install bats
|
2015-10-28 14:46:19 +01:00 |
|
TApplencourt
|
098b796f4a
|
Fix conflic
|
2015-10-08 13:10:52 +02:00 |
|
TApplencourt
|
f4c03bffe2
|
Fix some ezfio path
|
2015-09-30 13:47:22 +02:00 |
|
TApplencourt
|
5dc7810bde
|
Fix ezfio path and ocaml version
|
2015-09-30 13:19:45 +02:00 |
|
|
|
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 |
|
