Jaron Krogel
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6bc117c2cc
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finish updating labs to python3
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2020-02-03 11:30:29 -05:00 |
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Paul Kent
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6d052c0d26
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Require Python3
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2020-01-08 12:52:22 -05:00 |
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Jaron Krogel
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3719ade8d2
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labs: slides for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6990 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-07 14:28:00 +00:00 |
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Jaron Krogel
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c673bc8fb4
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labs: revert oxygen atom input files (fix rev 6944)
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6986 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-06 21:30:09 +00:00 |
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Jaron Krogel
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13bb3f3ce5
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labs: increase ecut for oxygen dimer
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6985 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-06 21:24:57 +00:00 |
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Jaron Krogel
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4f6c1c8fa6
|
labs: update oxygen dimer reference data
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6984 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-06 21:23:28 +00:00 |
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Jaron Krogel
|
432b403de5
|
labs: update ecut for oxygen atom
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6983 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-06 21:19:44 +00:00 |
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Jaron Krogel
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1a43a82ac1
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labs: update atom reference files for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6982 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-06 21:18:51 +00:00 |
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Jaron Krogel
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74f0b75ae6
|
labs: update for new qmcpack queue on Vesta
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6979 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-06-06 02:22:55 +00:00 |
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Jaron Krogel
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f295a606b4
|
labs: reference files for dimer calculations in basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6956 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-31 16:36:26 +00:00 |
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Jaron Krogel
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02a30d194f
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labs: update to dimer script for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6950 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-27 18:48:55 +00:00 |
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Jaron Krogel
|
18abefd1c9
|
labs: update atom reference files for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6944 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-27 17:19:05 +00:00 |
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Jaron Krogel
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e2c24636f2
|
labs: use smaller box to speed up dft
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6933 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-20 19:25:56 +00:00 |
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Jaron Krogel
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f3b7faa6be
|
labs: modernize nexus script for "your system" example
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6931 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-19 15:52:09 +00:00 |
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Jaron Krogel
|
41d260ccd7
|
labs: small change
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6915 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-17 19:03:24 +00:00 |
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Jaron Krogel
|
9ebdf46f37
|
labs: updated qmc input files for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6914 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-17 17:20:39 +00:00 |
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Jaron Krogel
|
09791d455b
|
labs: update atom DFT inputs for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6910 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-17 14:55:45 +00:00 |
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Jaron Krogel
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2d9bfd51f4
|
labs: update to dimer script for basics lab
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6904 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-16 18:39:10 +00:00 |
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Jaron Krogel
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a2cf384e5c
|
labs: original opt input file was somehow missed
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6894 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-13 13:30:43 +00:00 |
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Jaron Krogel
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acb7fea85d
|
cut down file set for the labs (still large)
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6879 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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2016-05-05 20:24:55 +00:00 |