LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-09 07:33:53 +01:00
Code Issues Releases Wiki Activity
1,117 Commits 6 Branches 5 Tags 93 MiB
17b45ba194
Commit Graph

1117 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Thomas Applencourt
b815828f38 Merge 2015-06-24 10:52:32 +02:00
Thomas Applencourt
4205e42820 Fix maj tree 2015-06-24 10:51:49 +02:00
Thomas Applencourt
90bec251cb Rename module AOs MOs into {}_Basis 2015-06-24 10:32:12 +02:00
Thomas Applencourt
2c5773dcf2 Merge pull request #80 from TApplencourt/master 
Can install on sv7
 2015-06-24 09:38:39 +02:00
Thomas Applencourt
7660b955e9 Restor Full_CI tree 2015-06-24 09:37:38 +02:00
Thomas Applencourt
ac37c2dab8 Workaround for IRP bug 2015-06-24 09:02:22 +02:00
Thomas Applencourt
82d74710bd Cleaning module_handler 2015-06-23 18:46:09 +02:00
Thomas Applencourt
8accde8b19 Cleaning module_handler 2015-06-23 18:43:56 +02:00
Thomas Applencourt
9dc586364d Remove file 2015-06-23 18:00:03 +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
Thomas Applencourt
b3676c43d0 OK 2015-06-23 14:19:54 +02:00
Thomas Applencourt
45054db18e Remove ezfio_config 2015-06-23 14:07:03 +02:00
Thomas Applencourt
a0407bf89f And remove ancestor 2015-06-23 10:04:59 +02:00
Thomas Applencourt
1b53c55a1c Merge pull request #21 from LCPQ/master 
Cleaning
 2015-06-22 11:35:54 +02:00
Thomas Applencourt
76823bf788 Merge pull request #79 from scemama/master 
qp_install cleaning
 2015-06-22 11:20:10 +02:00
Anthony Scemama
0cae555dc1 Cleaned aux_basis bug 2015-06-22 10:44:18 +02:00
Anthony Scemama
9d3d9f45b9 qp_install uninstall 2015-06-22 10:37:17 +02:00
Anthony Scemama
b0515ac93e qp_root tmp directory 2015-06-22 10:22:00 +02:00
Anthony Scemama
8d5cb6dcad Error message 2015-06-22 10:04:22 +02:00
Anthony Scemama
01aeaffaf1 Merge branch 'master' of github.com:scemama/quantum_package 
Conflicts:
	scripts/compilation/qp_create_ninja.py
 2015-06-22 09:43:48 +02:00
Anthony Scemama
50efbb349f Reduce stack size 2015-06-22 09:41:31 +02:00
Anthony Scemama
cc1d5140dd Merge pull request #14 from LCPQ/master 
Merge qp_install
 2015-06-22 09:41:11 +02:00
Anthony Scemama
9548cf14d4 Work on QMC=Chem interface 2015-06-21 23:08:18 +02:00
Thomas Applencourt
ac24ddb73b Merge pull request #78 from TApplencourt/master 
README
 2015-06-20 20:09:46 +02:00
Thomas Applencourt
623167cf9c Canot use cache for now... =( 2015-06-19 19:26:50 +02:00
Thomas Applencourt
5d5c93ff78 Try Travis cache 2015-06-19 19:13:35 +02:00
Thomas Applencourt
a2966d2999 Update doc 2015-06-19 18:58:58 +02:00
Thomas Applencourt
a07312b077 Update doc 2015-06-19 18:58:36 +02:00
Thomas Applencourt
4bf9c4b6f4 Merge pull request #77 from TApplencourt/master 
Add qp_intall_module !
 2015-06-19 11:28:33 +02:00
Thomas Applencourt
c6128f7a22 Fix ei_handler ocaml_global 2015-06-19 10:32:19 +02:00
Thomas Applencourt
d7c0b755ab Try to debug travis 2015-06-19 09:54:21 +02:00
Thomas Applencourt
93eafd009d Update the EZFIO.cfg with the new keyword 2015-06-18 15:04:44 +02:00
Thomas Applencourt
0342bc009e Nice readme [ci skip] 2015-06-18 13:58:33 +02:00
Thomas Applencourt
8ab03b407a Update readme [ci skip] 2015-06-18 13:53:43 +02:00
Thomas Applencourt
3a0f55d4d0 Update README 2015-06-18 13:51:27 +02:00
Thomas Applencourt
40b949f47a Cleaning the test 2015-06-18 12:08:28 +02:00
Thomas Applencourt
1b3a15c794 Fix create_exetuables to flow symlink 2015-06-18 11:20:52 +02:00
Thomas Applencourt
abbcb3195a Change global variable 2015-06-18 11:11:14 +02:00
Thomas Applencourt
4708a2d93c Move densityfit for bad raison 2015-06-18 10:23:48 +02:00
Thomas Applencourt
4eb38cf1e5 Add qp_path.py and change module_handler acordingly 2015-06-18 10:21:37 +02:00
Thomas Applencourt
dbbe9da571 First travis module 2015-06-17 19:00:31 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00
Thomas Applencourt
a0fada5676 Add suport of symlink in src 2015-06-17 18:16:14 +02:00
Thomas Applencourt
65085df038 Maj doc 2015-06-17 16:16:03 +02:00
Thomas Applencourt
5de0128c85 Merge pull request #19 from LCPQ/master 
Correct gfortran
 2015-06-17 16:11:58 +02:00
Thomas Applencourt
355543a448 Merge pull request #73 from scemama/master 
Configure script
 2015-06-17 13:09:27 +02:00
Anthony Scemama
f15c6583ec -I . is important for gfortran 2015-06-17 10:49:43 +02:00
Anthony Scemama
8d35cf1425 configure 2015-06-16 14:52:20 +02:00