 Anthony Scemama
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87109fb96b
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Fixed EZFIO
|
2019-02-05 21:59:26 +01:00 |
Emmanuel Giner
|
b447da300e
|
Modifs Manus
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2017-10-27 12:20:00 +02:00 |
|
TApplencourt
|
25b360a409
|
Update documetation...
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2016-11-01 17:07:55 -05:00 |
|
Anthony Scemama
|
dd60cda0ee
|
--amend
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2016-09-22 12:15:20 +02:00 |
|
caffarel
|
df6ca0ee05
|
Downgraded ZeroMQ to 4.0.7
|
2015-12-04 20:02:35 +01:00 |
|
Thomas Applencourt
|
1c35435ea6
|
Fixing doc in double
|
2015-07-28 17:18:45 +02:00 |
|
Thomas Applencourt
|
97c0dcf40b
|
Fix qp_install_module
|
2015-07-28 17:02:00 +02:00 |
|
Thomas Applencourt
|
b97e337f4b
|
Refortorisation of update_readme
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2015-07-28 16:45:45 +02:00 |
|
Thomas Applencourt
|
2ecacdd18e
|
Realy fix the readme... Maybe to mush
|
2015-06-04 12:15:54 +02:00 |
|
Thomas Applencourt
|
ba49beff36
|
Remove makefile.depend dependancy !
|
2015-05-27 11:02:13 +02:00 |
|
Thomas Applencourt
|
af1acde61f
|
Add Update_readme to ninja
|
2015-05-26 17:43:43 +02:00 |
|
Anthony Scemama
|
e438d8582b
|
Removed Output module
|
2015-05-11 19:41:56 +02:00 |
|
Anthony Scemama
|
4d82bd5fe8
|
Split pseudo in local/non-local
|
2015-05-11 14:54:43 +02:00 |
|
Thomas Applencourt
|
a531fa6b29
|
Add Pseudo_integrals folder
|
2015-05-02 12:58:21 +02:00 |
|
Thomas Applencourt
|
5947026af0
|
Fix update_README.py
|
2015-04-13 10:55:48 +02:00 |
|
Anthony Scemama
|
563a8bea4d
|
Added xyz types in symmetry (ocaml)
|
2014-08-27 16:38:13 +02:00 |
|
Manu
|
ce7ee6cc6f
|
Fixed bug in FCI
|
2014-07-16 15:35:51 +02:00 |
|
Anthony Scemama
|
ff86d51c5f
|
Hartree-Fock works well
|
2014-06-25 14:58:58 +02:00 |
|
Manu
|
868ef807bd
|
CISD_SC2 ok, CISD_SC2_selected ok
|
2014-05-30 18:07:04 +02:00 |
|
Anthony Scemama
|
9af8b74f4a
|
Add the possibility to abort cleanly a running Davidson or integrals
|
2014-05-26 23:02:29 +02:00 |
|
Anthony Scemama
|
741cd36db2
|
Merge branch 'master' of github.com:LCPQ/quantum_package
Conflicts:
src/CISD/README.rst
src/CISD/SC2.irp.f
src/CISD/cisd.irp.f
src/Dets/README.rst
src/Dets/determinants.irp.f
src/Dets/slater_rules.irp.f
src/Perturbation/README.rst
|
2014-05-24 03:29:35 +02:00 |
|
Manu
|
14c43916ca
|
Changes in /Hartree_Fock/README.srt
|
2014-05-21 22:41:26 +02:00 |
|
Anthony Scemama
|
3e7c65d858
|
Updated documentation
|
2014-05-14 00:01:31 +02:00 |
|
Anthony Scemama
|
b02cfe8dc3
|
CISD OK
|
2014-05-13 13:57:58 +02:00 |
|
Anthony Scemama
|
e1ed65a1a6
|
Merge branch 'master' of github.com:LCPQ/quantum_package
Conflicts:
src/Utils/README.rst
|
2014-04-15 10:45:05 +02:00 |
|
Anthony Scemama
|
726ee68187
|
MO SCF iterations
|
2014-04-15 10:44:22 +02:00 |
|
Anthony Scemama
|
7ed4489fe1
|
Tests more general
|
2014-04-07 22:47:34 +02:00 |
|
Anthony Scemama
|
74c2658546
|
Run tests in parallel using python multiprocessing pool
|
2014-04-07 21:15:01 +02:00 |
|
Anthony Scemama
|
c70e4591a9
|
Tests for integration
|
2014-04-07 20:01:30 +02:00 |
|
Anthony Scemama
|
550547e54b
|
Added checked inputs for tests.
|
2014-04-07 00:39:18 +02:00 |
|
Anthony Scemama
|
f0cba523df
|
Auto insert HTTP links to other modules in the README.rst file.
|
2014-04-04 00:47:13 +02:00 |
|
Anthony Scemama
|
166df2ba8d
|
Auto-update README.rst
|
2014-04-04 00:41:43 +02:00 |
|
Anthony Scemama
|
01aae7bf4d
|
Added README.rst in all directories
|
2014-04-03 16:23:27 +02:00 |