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9d0aee7426
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Added doc page for compute mliap and updated examples
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2020-07-03 13:43:51 -06:00 |
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cae9788d42
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Changed the compute examples to expose effect of different list orderings
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2020-07-02 14:43:48 -06:00 |
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5148834d23
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Merge pull request #2162 from akohlmey/collected-small-changes
Collected small changes
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2020-06-19 17:07:07 -04:00 |
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b97cd78e80
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change input and log files for new example to give consistent results in serial and parallel.
the remaining files and logs are updated in PR #2162
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2020-06-16 21:11:34 -04:00 |
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1883788725
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update SNAP package inputs and reference logs to give consistent results in serial and parallel
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2020-06-16 20:59:58 -04:00 |
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ac87f1763c
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Merge remote-tracking branch 'refs/remotes/origin/chem_snap' into chem_snap
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2020-06-15 12:22:11 -07:00 |
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39aee089e7
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Merge branch 'master' into chem_snap
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2020-06-15 12:20:48 -07:00 |
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78117205ce
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make He table potentials canonical and add UNITS: tag
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2020-06-14 10:46:56 -04:00 |
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7dd186d0ad
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Refactored chemsnap input options
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2020-06-13 12:50:01 -06:00 |
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7ba731c711
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Renamed InP potential files and create standard log files
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2020-06-13 10:47:52 -06:00 |
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7ea1e60ec5
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Renamed InP potential files and create standard log files
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2020-06-13 10:47:29 -06:00 |
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eec9773815
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Moved InP files to potentials dir
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2020-06-13 10:25:11 -06:00 |
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ebcc68f2cf
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Renamed InP files and tweaked
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2020-06-12 17:58:33 -06:00 |
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9a2348ff15
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InP example included
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2020-04-09 01:18:34 -07:00 |
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7233c3fedf
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Fixed error in compute snap for quadratic and add log files for regression testing
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2019-12-02 18:30:38 -07:00 |
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921d0794bb
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Finished documentation and example
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2019-11-19 00:12:57 -07:00 |
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59af51ca91
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Added code to create pressure compute snap_press behind the scenes
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2019-11-18 23:51:08 -07:00 |
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11961084ce
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Made compute snap fully parallel
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2019-11-18 21:35:32 -07:00 |
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3fd43224b3
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update comments in example inputs
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2019-09-19 15:17:52 -04:00 |
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e847777e43
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Added W-Be example to example/snap folder
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2019-09-18 14:34:20 -06:00 |
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fa7e02ea71
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Removed redundant element list from pair_coeff snap syntax
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2018-12-03 20:28:01 -07:00 |
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5d2730f055
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update log files for rigid, shear, snap, srd, streitz, threebody, vashsista, and voronoi examples
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2018-11-29 18:22:18 -05:00 |
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b5b70b429f
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update log files for SNAP package examples to reflect current state of keywords.
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2018-05-03 13:00:24 -04:00 |
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ad25a95297
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whitespace cleanup
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2017-09-20 11:13:13 -04:00 |
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e7d042ba1a
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convert DOS/Windows CR-LF line endings to native format
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2017-09-20 11:12:58 -04:00 |
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dd49d54889
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new SNAP potentials and examples
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2017-09-20 08:54:30 -06:00 |
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22fdb1fc14
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SNAP changes by Aidan
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2017-05-30 10:21:07 -06:00 |
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44841f6891
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fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
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2017-03-23 15:31:27 -06:00 |
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efaa4c6710
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new neigh_modify exclude option, other SNAP changes
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2017-03-07 09:31:12 -07:00 |
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1cd4c48ccc
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new SNAP potential for W
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2017-02-21 15:49:21 -07:00 |
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493873fb93
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clean up doc src
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2016-10-06 13:00:46 -06:00 |
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3333e4b475
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Put snap before zbl to get more helpful error message
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15660 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-27 17:21:42 +00:00 |
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bee7ffaee5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14610 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 18:06:11 +00:00 |
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b1922ae7ca
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14609 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 18:04:59 +00:00 |
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06bb2fb761
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Modifed ZBL to accomodate mixing
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14049 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-23 00:31:07 +00:00 |
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fc933f28ff
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13530 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-06 16:35:48 +00:00 |
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07f62aea1a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13471 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-15 19:36:25 +00:00 |
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723da5079a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13470 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-15 19:27:25 +00:00 |
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3e4d6f2096
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-05 23:24:15 +00:00 |
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77dedf1063
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12419 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-05 23:02:17 +00:00 |
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