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26d02019ed
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Added MP2 wave function
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2015-11-20 13:03:15 +01:00 |
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f80b6d0b0f
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Replaced QP_ROOT by in configure
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2015-11-19 15:56:46 +01:00 |
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f82605fb8a
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Add g++ dependency for Ninja in configure
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2015-10-30 13:54:58 +01:00 |
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979aa6a793
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Bug in get_excitation_degree_vector
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2015-09-19 01:37:44 +02:00 |
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e31f162e5b
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English in configure
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2015-09-18 22:23:45 +02:00 |
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d071a9e395
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Fixed ninja bug
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2015-09-08 16:42:50 +02:00 |
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a55b3cb651
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Merged with Manu MRCC
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2015-09-08 16:37:46 +02:00 |
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01699dd0c1
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i_H_j_phase_out missing in previous commit
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2015-07-28 18:57:43 +02:00 |
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Thomas Applencourt
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e4d2eda17f
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Add python
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2015-07-21 10:11:12 +02:00 |
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Thomas Applencourt
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99444757b1
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Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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Thomas Applencourt
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c38e042781
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Fix graphiz dl format archive
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2015-07-16 10:53:40 +02:00 |
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Thomas Applencourt
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c7c9243c21
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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0aff5aa468
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Pseudo-Corrected NaN in pseudo-potentials
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2015-07-03 15:42:12 +02:00 |
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Thomas Applencourt
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f93eeac8e2
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Realy fix #84
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2015-07-03 12:35:24 +02:00 |
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Thomas Applencourt
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09da801b1d
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Fix #87
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2015-07-03 12:18:02 +02:00 |
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Thomas Applencourt
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7553b0877c
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Remove the raise, for only show the 'source message' / cleaning configure
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2015-07-02 09:40:21 +02:00 |
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66e7409980
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QP_ROOT substitution in configure
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2015-07-01 19:29:08 +02:00 |
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7dcc82c223
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Merge branch 'master' of github.com:scemama/quantum_package
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2015-06-30 10:46:53 +02:00 |
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b3996d7b4d
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Minor changes
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2015-06-30 10:46:50 +02:00 |
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Thomas Applencourt
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5b708a5225
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Update install irp
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2015-06-24 11:58:21 +02:00 |
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Thomas Applencourt
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aeac23b6f4
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Bash to call irpf90 -v
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2015-06-23 16:04:37 +02:00 |
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Thomas Applencourt
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c85a288605
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Working
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2015-06-23 16:01:44 +02:00 |
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Thomas Applencourt
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6d4c22a2b0
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check irp version...
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2015-06-23 15:23:45 +02:00 |
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f15c6583ec
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-I . is important for gfortran
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2015-06-17 10:49:43 +02:00 |
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8d35cf1425
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configure
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2015-06-16 14:52:20 +02:00 |
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5be8d24ad2
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configure
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2015-06-16 14:43:24 +02:00 |
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9ead8acdb7
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Spelling
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2015-06-16 14:35:16 +02:00 |
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0f19d8514e
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gfortran options
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2015-06-11 17:26:05 +02:00 |
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96a16cc46e
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Little changes
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2015-06-11 16:25:35 +02:00 |
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