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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-27 06:43:48 +01:00
Commit Graph

87 Commits

Author SHA1 Message Date
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
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