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c49dc4ddc0
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Documentation
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2019-01-16 19:06:24 +01:00 |
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dba07af142
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Renamed qp_create_ezfio
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2019-01-16 18:31:10 +01:00 |
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6b18116a7d
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-16 18:24:34 +01:00 |
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b8322eb01d
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Added qp_reset
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2019-01-16 18:24:24 +01:00 |
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Emmanuel Giner
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9ab0c91b32
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Merge pull request #63 from scemama/master
fixed qp_path
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2019-01-16 17:48:45 +01:00 |
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f42affd833
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fixed qp_path
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2019-01-16 17:45:18 +01:00 |
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Emmanuel Giner
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e4cb08efc9
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load user bashrc
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2019-01-16 15:29:40 +01:00 |
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Emmanuel Giner
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1cf73ea3b6
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merge with scemama
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2019-01-16 15:21:51 +01:00 |
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Emmanuel Giner
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1ecd6d6b47
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Merge https://github.com/scemama/quantum_package into toto
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2019-01-16 15:21:12 +01:00 |
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6f35f634de
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Fixed qp command
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2019-01-16 15:09:11 +01:00 |
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Emmanuel Giner
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6ada723926
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Merge pull request #62 from scemama/master
merge
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2019-01-16 15:03:47 +01:00 |
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0bfc60ee93
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creating doc for programs
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2019-01-16 15:00:20 +01:00 |
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fd93373543
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Working on doc
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2019-01-16 11:47:09 +01:00 |
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Emmanuel Giner
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ca9ade631d
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Merge pull request #61 from scemama/master
merge
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2019-01-16 00:20:27 +01:00 |
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0b1dc18342
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Fixed qp set
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2019-01-16 00:13:22 +01:00 |
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ee14509458
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Bug with gortran6
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2019-01-16 00:00:00 +01:00 |
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be22be77cb
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Fixed ninja
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2019-01-15 23:56:00 +01:00 |
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5b5b0990e1
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Subshell in configure
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2019-01-15 23:47:03 +01:00 |
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Emmanuel Giner
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659e75ae4b
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Merge branch 'toto' of https://github.com/eginer/quantum_package into toto
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2019-01-15 23:43:06 +01:00 |
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Emmanuel Giner
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588a6effa4
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Merge pull request #60 from scemama/master
Fixed bats install
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2019-01-15 23:43:01 +01:00 |
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Emmanuel Giner
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a98a498bd4
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modified scripts/hello.py
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2019-01-15 23:42:36 +01:00 |
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b4ba8e155f
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-15 23:40:31 +01:00 |
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f80a63031b
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-15 23:40:15 +01:00 |
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a0dd0ff01d
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Fixed bats install
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2019-01-15 23:39:43 +01:00 |
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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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