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7584fbb28f
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Updating fep examples
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2021-02-15 13:34:22 +01:00 |
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0c35981e31
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fep CH4hyd examples
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2021-01-23 19:02:21 +01:00 |
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804def066a
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fep more doc
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2021-01-22 22:21:56 +01:00 |
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f37bfc3fdc
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fep CH4hyd/fdti10
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2021-01-22 22:01:26 +01:00 |
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25420fc030
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Start update of fep examples and doc
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2021-01-22 21:39:09 +01:00 |
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2e33887d0b
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Merge branch 'master' into tgnh
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2020-12-20 14:48:49 -05:00 |
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40dd4e57fb
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Merge pull request #2467 from jrgissing/bond/react-delete_atoms_bugfix
Bond/react: molecule keyword + bugfixes
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2020-11-30 15:35:14 -05:00 |
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5aff81946b
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bond/react: update examples with new keyword
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2020-11-19 13:48:11 -05:00 |
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6740f8dbab
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Fix the compatibility issue with latest LAMMPS. Add examples.
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2020-11-12 18:12:23 +01:00 |
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4f3e693b4a
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Delete README
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2020-11-05 12:50:41 -07:00 |
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a04faff152
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Merge branch 'master' of github.com:lammps/lammps
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2020-11-05 10:03:06 -07:00 |
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2ed11f55d6
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fix URLs to documentation files
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2020-10-21 11:12:13 -04:00 |
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2c54b7e505
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update USER-SMD examples: rename files, shorten runs and add logfiles
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2020-10-19 15:45:26 -04:00 |
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f67d9bb523
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Correct USER smd examples and remove tabs
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2020-10-19 14:56:40 +02:00 |
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7fdf70c960
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Merge branch 'master' of github.com:lammps/lammps
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2020-10-13 19:10:32 -06:00 |
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b1f6a6799c
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Merge remote-tracking branch 'github/master' into coul_tt
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2020-09-28 13:56:00 -04:00 |
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c217c8df24
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shorten example and do not print CPU time output to avoid false positives when comparing
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2020-09-28 13:49:08 -04:00 |
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064f735272
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source files updated, examples changes
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2020-09-25 16:08:20 +02:00 |
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0cc0d10092
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Removing the electron_stopping_fit folder
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2020-09-24 20:36:29 -06:00 |
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1778c82307
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Moved electron/stopping/fit information to the exisiting electron_stopping folder
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2020-09-24 20:34:31 -06:00 |
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60e237a39f
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Fixing text
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2020-09-24 20:32:40 -06:00 |
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9e520b63c6
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Fixing text
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2020-09-24 20:31:33 -06:00 |
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88b0963cf8
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Deleting files
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2020-09-24 20:24:34 -06:00 |
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0511bc38e0
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Updated 2 species example to use an existing potential, and generated new log files for each case.
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2020-09-24 20:22:10 -06:00 |
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33bf8270a6
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Editing system sizes and run times
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2020-09-24 16:34:16 -06:00 |
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a6e18eaf42
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Deleting files
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2020-09-24 16:23:25 -06:00 |
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c997925584
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Commented out dump commands in input files, edited in.cascade_SiSi to read from /potentials/SiC.tersoff.zbl, and deleted Si.tersoff.zbl file
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2020-09-24 16:21:51 -06:00 |
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6675371d6b
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Removed elec_drag folder
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2020-09-24 15:40:56 -06:00 |
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f5635208e3
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Modified the fix_elec_drag.* name to fix_electron_stopping_fit.* to align with and distinguish from existing fix_electron_stopping.*
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2020-09-23 17:14:14 -06:00 |
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6392d24411
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Added an electronic stopping fix (fix_elec_drag.*) to USER-MISC/, with corresponding examples in examples/USER/misc/
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2020-09-23 16:36:12 -06:00 |
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2206de7c68
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Examples added, bug fixed
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2020-09-21 16:14:33 +02:00 |
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b99e005ca1
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Update example output files
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2020-09-09 18:26:34 -04:00 |
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ae3a7d8901
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minor changes to example
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2020-09-01 17:02:24 +02:00 |
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2ee6e9077a
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Merge remote-tracking branch 'upstream/master' into 2020
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2020-08-24 17:02:53 +02:00 |
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e8fb7c7ece
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big update
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2020-08-24 16:54:16 +02:00 |
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8dae5d5fc7
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Added special_bonds command to input files
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2020-07-03 21:03:24 +01:00 |
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284efadf9b
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adjust USER-QTB examples to match more closely with LAMMPS' style. add log files.
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2020-06-25 17:22:16 -04:00 |
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a519ff2909
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Fix broken QTB examples
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2020-06-25 13:02:02 -06:00 |
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f812b94e40
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Update relative paths to dynamic links
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2020-06-23 14:23:41 -07:00 |
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6fbcb84819
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Update dynamical matrix examples
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2020-06-22 15:26:04 -07:00 |
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3abbf57146
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remove executable permissions on files that should not have them
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2020-06-15 17:34:21 -04:00 |
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9aee8d41bd
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Merge branch 'master' into collected-small-changes
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2020-06-15 12:12:45 -04:00 |
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8d5452d653
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must use fabs() instead of abs() on floating point values. update cauchystat example logs
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2020-06-13 01:39:55 -04:00 |
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ba5e78b97a
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move pair style mesocnt example to the USER-MESONT folder. unbundle potential file
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2020-06-12 06:33:45 -04:00 |
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cf5c748fb4
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Merge branch 'master' into feature-cnt
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2020-06-12 05:53:17 -04:00 |
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0bc1c3b2a2
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update example logs and inputs
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2020-06-12 05:48:49 -04:00 |
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ecc142229d
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update outputs again
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2020-06-09 15:09:45 -04:00 |
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999ed36e6a
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update log files for new version
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2020-06-09 15:04:53 -04:00 |
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7088746e36
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update logs
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2020-06-06 11:59:38 -04:00 |
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d343d2beb1
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whitespace and output fixes.
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2020-06-06 11:10:32 -04:00 |
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