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2a026c9ad8
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revised temper_grem example, better file management
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2016-11-17 12:53:25 -05:00 |
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4a3091f844
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modified temper_grem example with more exchanges
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2016-11-17 11:24:29 -05:00 |
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74c0e4dd5c
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Merge pull request #278 from akohlmey/pair-agni
Implementation of the AGNI manybody potential
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2016-11-17 09:04:31 -07:00 |
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4e62e58d29
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Merge pull request #47 from dstelter92/grem-feature
added internal tempering in grem with example
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2016-11-17 10:04:43 -05:00 |
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5ac2d9532e
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Re-run example with debug off
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2016-11-17 09:43:44 -05:00 |
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19ac9d2959
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turned off dev mode by default in temper_grem
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2016-11-17 09:31:07 -05:00 |
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9f313aac75
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shorter example
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2016-11-16 20:43:41 -05:00 |
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0102c5dadc
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file cleanup
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2016-11-16 20:38:53 -05:00 |
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07e46b797a
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added internal tempering in grem with example
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2016-11-16 20:27:14 -05:00 |
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2e7fd513d4
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provide fix grem example input for nvt and npt
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2016-11-16 16:42:01 -05:00 |
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82364d10e3
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Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem-feature
Resolved merge conflicts and adapted logic to most recent changes in feature branch
Closes #46
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2016-11-16 16:11:53 -05:00 |
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683f514fac
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simplify multi-replica run by passing per-replica parameters as variables on the command line
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2016-11-16 14:22:20 -05:00 |
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1c68e42ecc
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fix_modify is not longer needed
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2016-11-14 13:43:28 -05:00 |
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5f94b31806
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add multi-replica example for gREM
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2016-11-14 10:12:48 -05:00 |
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14c7cf4197
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retrieve target temperature and pressure from fix npt. add sanity checks.
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2016-11-13 23:18:59 -05:00 |
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26870f223d
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add example for gREM
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2016-11-13 23:18:14 -05:00 |
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b9770766a8
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add adatom and vacancy examples for AGNI pair style
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2016-11-11 18:19:29 -05:00 |
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8e0fd88697
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add example demonstrating the use of fix addtorque
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2016-11-11 10:52:50 -05:00 |
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b27179bbef
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restore bugfixes and updates that were lost. flag time dependet. correct use of citeme.
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2016-09-21 07:27:37 -04:00 |
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b9b044e180
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new fix ti/spring command, remove fix ti/rs
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2016-09-20 10:44:12 -06:00 |
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7512821dd6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14628 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 21:20:17 +00:00 |
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507bde5b5a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 21:19:55 +00:00 |
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ed9e162025
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14626 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 21:18:29 +00:00 |
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bf8b5e4d63
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Fixing broken basal example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-26 17:00:51 +00:00 |
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1f0a6ae006
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Fixed broken basal example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11787 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-14 21:24:23 +00:00 |
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90a2bccf83
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10956 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-04 20:54:41 +00:00 |
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b12b9fced9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10409 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-26 15:38:06 +00:00 |
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fbc3f58a05
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-26 23:31:09 +00:00 |
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