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6ac5eb6da9
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Work in progress
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2020-03-03 15:49:45 +01:00 |
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882a8fd100
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Update configure
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2020-02-27 11:47:30 +01:00 |
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98b36f1185
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configure
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2020-02-27 10:34:04 +01:00 |
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a712441069
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Merge branch 'dev' into features_spack
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2020-02-27 10:19:40 +01:00 |
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4741f2f544
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Blanks at end of line
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2020-02-27 10:16:27 +01:00 |
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eac877dd44
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Removed dead code
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2020-02-26 23:30:38 +01:00 |
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3cf55e2676
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print_energy.irp.f
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2020-02-26 15:58:14 +01:00 |
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bfb3672e0e
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Merge branch 'dev' into features_spack
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2020-02-26 10:55:40 +01:00 |
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547fea1d58
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Sorted and uniqued REPLACE file
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2020-02-26 09:52:48 +01:00 |
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e4734e9480
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Removed old ZMQ-PT2 routines
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2020-02-26 09:48:31 +01:00 |
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78545fe7cd
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Work in progress
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2020-02-26 09:38:30 +01:00 |
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fd55b57ed7
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Rewrote configure
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2020-02-25 12:07:47 +01:00 |
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94bd90462e
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Added spack submodule
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2020-02-25 09:11:32 +01:00 |
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d2f09a7464
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Default rc
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2020-02-24 20:02:09 +01:00 |
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656d8c2365
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Update config files
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2020-02-21 11:28:18 +01:00 |
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e675192775
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Separated opam packages and ocaml in configure
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2020-02-20 21:05:52 +01:00 |
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a05ee8f97a
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Merge branch 'master' into features_spack
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2020-02-20 20:56:36 +01:00 |
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6676c9fa7b
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2020-02-20 20:53:20 +01:00 |
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5c404a21d9
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Merge branch 'master' into dev
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2020-02-20 20:51:32 +01:00 |
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08f3ba0d54
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Merge pull request #87 from QuantumPackage/features_ezfio_inside
EZFIO as a tar.gz inside QP
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2020-02-20 20:07:57 +01:00 |
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95d650cb17
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Merge pull request #86 from QuantumPackage/kgasperich-patch-1
Update occ_pattern.irp.f
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2020-02-20 20:02:35 +01:00 |
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Kevin Gasperich
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38a92488f6
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Update occ_pattern.irp.f
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2020-02-20 12:49:34 -06:00 |
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1e336c77c6
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Fixed EZFIO installation
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2020-02-20 19:41:30 +01:00 |
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d7978912bd
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Added the tgz of EZFIO for simplicity
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2020-02-20 19:33:42 +01:00 |
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20060d508c
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Working on Spack packaging
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2020-02-20 19:28:03 +01:00 |
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03d2781789
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Merge pull request #84 from QuantumPackage/master
Bugfix
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2020-02-17 12:41:27 -06:00 |
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cf906395fb
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Merge pull request #83 from QuantumPackage/bugfix
Bugfix
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2020-02-17 07:10:29 -06:00 |
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f820b4a16f
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Merge branch 'master' into bugfix
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2020-02-17 07:10:16 -06:00 |
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25247efd25
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Merge branch 'master' into bugfix
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2020-02-17 11:14:34 +01:00 |
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5ff385620c
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Fixed install
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2020-02-17 11:14:18 +01:00 |
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2e1ed8ab79
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Merge pull request #78 from QuantumPackage/master
Bugfix
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2020-02-12 17:33:04 -06:00 |
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a2794cbb33
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Merge pull request #77 from QuantumPackage/bugfix
Python2 in resultsFile
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2020-02-12 15:31:40 -06:00 |
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978c0e5b3c
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Fixed wrong path
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2020-02-12 21:42:49 +01:00 |
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56cd9239fd
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Merge pull request #76 from QuantumPackage/features_emsl
Features emsl
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2020-02-12 14:39:15 -06:00 |
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ca295847cd
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Merge branch 'master' into bugfix
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2020-02-12 21:14:21 +01:00 |
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6d10e4f0cc
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Fix resultsFile Python2 download
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2020-02-12 21:14:12 +01:00 |
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d923ba2752
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Merge branch 'master' into features_emsl
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2020-02-12 14:01:42 -06:00 |
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82e68255b2
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Removed qmcpack specific function
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2020-02-12 13:08:05 -06:00 |
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47eef124ef
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Fixed test file
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2020-02-05 16:49:59 +01:00 |
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5d6805f926
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Fixing tests
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2020-02-05 14:27:28 +01:00 |
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8af3e708ad
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Fixing tests
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2020-02-05 13:11:04 +01:00 |
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a812993d8c
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Fixed tests
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2020-02-05 11:48:44 +01:00 |
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4572aa1661
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Added qp_basis
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2020-02-04 19:30:04 +01:00 |
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ad8adda841
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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1191679173
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Removed basis set files and added configure/install script
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2020-02-04 18:33:41 +01:00 |
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0e29b1c264
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Basis warning
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2020-02-04 16:49:16 +01:00 |
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c50707568c
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New weights in selection
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2020-01-07 15:48:37 +01:00 |
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9fd07ced0e
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Merge branch 'master' into dev
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2020-01-07 11:44:20 +01:00 |
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694df1d649
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Fixed sexplib version in configure
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2020-01-07 11:02:11 +01:00 |
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b9e30a96ac
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Merge branch 'master' into bugfix
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2020-01-07 11:01:44 +01:00 |
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