Emmanuel Giner
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0655723285
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Merge pull request #59 from scemama/master
ASCII
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2019-01-15 23:37:47 +01:00 |
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c1af929527
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ASCII
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2019-01-15 23:31:41 +01:00 |
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Emmanuel Giner
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d3c7be5ec2
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Merge pull request #58 from scemama/master
Added Python directory
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2019-01-15 22:16:04 +01:00 |
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f55f20d7b6
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Added Python directory
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2019-01-15 22:11:34 +01:00 |
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Emmanuel Giner
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a5febdca93
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Merge pull request #57 from scemama/master
Improved configure script
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2019-01-15 20:22:53 +01:00 |
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Emmanuel Giner
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5c8d1523b7
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minor modifs
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2019-01-15 20:19:08 +01:00 |
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95ccb8849a
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Improved configure script
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2019-01-15 18:53:44 +01:00 |
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Emmanuel Giner
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6f65292bab
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Merge pull request #56 from scemama/master
merge
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2019-01-15 17:54:33 +01:00 |
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d62017af67
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Changed again default of pt2_relative_error
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2019-01-15 15:31:43 +01:00 |
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b1f17b91f8
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Fixed multi-state selection
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2019-01-15 11:44:29 +01:00 |
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3529637c32
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Fixed qp_srun
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2019-01-15 10:37:19 +01:00 |
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7408fe1b75
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blanks
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2019-01-15 01:28:04 +01:00 |
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88b1f6ff32
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-15 01:26:14 +01:00 |
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2d77f94d91
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Fixed qp_create
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2019-01-15 01:26:01 +01:00 |
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5455163c2f
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Changed default to pt2 error = 1.e-3
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2019-01-15 00:49:54 +01:00 |
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78c58cd351
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Fixed qp_plugins -u
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2019-01-15 00:48:28 +01:00 |
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71bc405613
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Fixed qp_create
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2019-01-15 00:43:33 +01:00 |
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e910a19972
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Fixed travis
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2019-01-15 00:41:39 +01:00 |
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Emmanuel Giner
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1e2ad83cee
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Merge pull request #55 from scemama/master
merge
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2019-01-14 23:16:33 +01:00 |
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fedca82f17
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-14 22:43:18 +01:00 |
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bb87884c96
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Coding conventions
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2019-01-14 22:40:27 +01:00 |
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1ed1733332
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Improved qp completion
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2019-01-14 22:37:24 +01:00 |
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cd7d0280d7
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Fixed options
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2019-01-14 19:52:41 +01:00 |
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Emmanuel Giner
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7d4690a669
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modified example in grid_becke
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2019-01-14 15:29:01 +01:00 |
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316fb508d5
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Cleaning in scripts
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2019-01-14 15:20:51 +01:00 |
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Emmanuel Giner
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218ccae739
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merge
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2019-01-14 07:29:13 +01:00 |
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2ad39fae6a
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Update doc for qp_run
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2019-01-13 14:57:53 +01:00 |
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54a5e30c1d
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fixed qp_export_as_tgz
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2019-01-13 14:43:58 +01:00 |
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245d51d118
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Improved irpf90 installation
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2019-01-13 14:22:10 +01:00 |
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b83ab276ad
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Update qp_export_as_tgz
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2019-01-13 13:47:05 +01:00 |
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82ffea992d
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Fixed qpsh on CALMIP
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2019-01-13 00:03:11 +01:00 |
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78952d6e15
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Optimization
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2019-01-12 22:28:24 +01:00 |
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710198f32f
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Optimmization
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2019-01-12 22:12:59 +01:00 |
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69faa958f6
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Fixed tests
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2019-01-12 15:24:58 +01:00 |
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5b94cf4ad7
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Cleaning
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2019-01-12 11:51:57 +01:00 |
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c312b1de9b
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FIxed HF test
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2019-01-12 11:00:25 +01:00 |
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43a9f7f302
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fixed qp_convert
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2019-01-12 02:41:16 +01:00 |
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cf2fa908e2
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-11 19:58:21 +01:00 |
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43c42b05e5
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Can extract multiple states
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2019-01-11 19:49:48 +01:00 |
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Emmanuel Giner
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3725952d59
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fixed bugs
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2019-01-11 19:42:53 +01:00 |
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Emmanuel Giner
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3f7cc67646
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modifs in doc
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2019-01-11 19:37:06 +01:00 |
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815b7b2d18
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Command_line.ml
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2019-01-11 19:10:12 +01:00 |
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Emmanuel Giner
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a30f05b660
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Merge branch 'toto' of https://github.com/eginer/quantum_package into toto
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2019-01-11 16:21:23 +01:00 |
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Emmanuel Giner
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c1bb8278e9
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modify the doc
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2019-01-11 16:21:19 +01:00 |
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Emmanuel Giner
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5cf9f81f4b
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more detailed documentation on the doc of the programs
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2019-01-11 16:20:45 +01:00 |
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Emmanuel Giner
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42b287aa2a
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TODO
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2019-01-11 12:21:25 +01:00 |
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Emmanuel Giner
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b52bf0fd31
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TODO
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2019-01-11 12:21:02 +01:00 |
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eginer
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b99d4ba797
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modified the doc
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2019-01-10 18:57:58 +01:00 |
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Emmanuel Giner
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443a0f59e5
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Merge pull request #53 from scemama/master
merge
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2019-01-10 17:55:41 +01:00 |
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eginer
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7bee661166
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merged
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2019-01-10 17:54:30 +01:00 |
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