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549c6343f3
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Merged MLIAP package into latest LAMMPS created SNAP, quadratic SNAP, and ChemSNAP examples
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2020-06-21 18:05:34 -06:00 |
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30d9ffba25
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add "UNITS:" tag to new potential files
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2020-06-16 05:13:41 -04:00 |
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ae435536f3
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use index style variables instead of equal style variable to allow overriding them
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2020-06-16 05:13:16 -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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e083416dd8
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Merge pull request #2159 from akohlmey/potential-unit-tag
Add a units consistency check by adding a UNITS: tag to potential files.
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2020-06-15 13:55:20 -04:00 |
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d2404cc88e
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replace more potentials with symlinks
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2020-06-14 11:02:41 -04:00 |
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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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758d73e63d
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add UNITS: tag to a bunch more potential files
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2020-06-14 07:02:55 -04:00 |
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f0fadc1342
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document UNITS: tag
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2020-06-14 06:44:29 -04:00 |
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41e050aa8a
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apply UNITS: tag to a whole bunch of potential files
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2020-06-14 06:44:19 -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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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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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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d61d8899ff
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Merge branch 'fetch-potentials' into feature-cnt
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2020-06-12 05:54:45 -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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d436550d63
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remove too big C_10_10.mesocnt potential
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2020-06-10 09:56:47 -04:00 |
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447784212a
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Remove d0 in float numbers in ffield.comb
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2020-05-29 17:14:41 -04:00 |
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ed43c1e22b
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Merge branch 'master' into feature-cnt
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2020-05-18 18:23:16 -04:00 |
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e26be18b1e
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update
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2020-05-18 17:28:48 -04:00 |
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08d01e6417
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import polymorphic pair style update from Xiaowang Zhou
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2020-04-15 11:31:30 -04:00 |
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a8fc2005d4
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Merge branch 'master' into feature-cnt
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2020-03-20 14:35:57 -04:00 |
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649a8cc01a
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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8af9d40392
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Update DOI resolver
https://www.doi.org/doi_handbook/2_Numbering.html#htmlencoding
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2020-03-12 16:53:24 +09:00 |
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0204bf286b
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CNT package
The tubular potential model (TPM) force field for Carbon Nanotubes (CNTs) package.
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2020-02-06 16:50:38 -05:00 |
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0a10f5567a
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correct potential file format to be compatible with latest lammps
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2020-01-31 21:04:03 -08:00 |
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01a6608fb6
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add SNAP and quadratic SNAP potentials for six elemental systems
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2020-01-31 19:30:02 -08:00 |
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b2b28015c4
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New ILP paramters
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2020-01-16 16:46:04 +02:00 |
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4e32af5d49
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Merge branch 'master' into pair-bop-updates
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2020-01-15 17:13:22 -05:00 |
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df24475ea1
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update bop potential files to the latest versions
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2020-01-15 16:50:10 -05:00 |
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3efc5b0b64
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Merge pull request #1841 from phankl/stable
Mesoscopic potential for carbon nanotubes
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2020-01-15 16:31:40 -05:00 |
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cb20d73a82
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consistent name for pot file, symbolic link in examples
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2020-01-15 20:45:13 +00:00 |
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2f1e3d8490
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Merge branch 'master' into ph-cntmeso
# Conflicts:
# doc/src/pairs.txt
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2020-01-15 11:45:14 -05:00 |
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cbf3756923
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correct CR/LF into plain LF line endings
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2020-01-14 15:57:37 -05:00 |
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0dc2d411c5
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renamed potential file
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2020-01-14 15:19:54 +00:00 |
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2b51938a94
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changed potential file format to single file
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2020-01-13 22:52:52 +00:00 |
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03a7f617eb
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now opening files with lmp method
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2020-01-13 17:05:31 +00:00 |
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2e941fd9c0
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update BOP potential files with missing final line of zeros
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2020-01-11 14:02:59 -05:00 |
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21f454c040
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correct truncated AlCu.bop.table potential file from Xiaoweng Zhou
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2019-12-20 03:48:08 -05:00 |
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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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93fd33aad9
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Merge pull request #1507 from athomps/yarray
Back-porting of Zombie SNAP improvements
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2019-06-17 14:13:28 -04:00 |
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a973700295
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Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.
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2019-06-12 16:42:28 -06:00 |
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47cf17e5c8
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Merge branch 'master' into pair_drip
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2019-05-09 12:19:41 -04:00 |
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c2b2be5d6f
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Merge branch 'master' into github-rebo-bugfix
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2019-05-04 19:09:52 -04:00 |
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4c19eab64c
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Bugfix no 3 nearest neighbors for ghost atoms near boundary
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2019-04-23 14:39:47 -05:00 |
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ba7882c1ff
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Add parameter file and example
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2019-04-19 14:17:57 -05:00 |
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6d5ab3dac1
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Merge branch 'github-rebo-bugfix' of https://github.com/CF17/lammps into test-rebo
# Conflicts:
# examples/airebo/log.23Jun17.airebo-m.g++.1
# examples/airebo/log.23Jun17.airebo-m.g++.4
# examples/airebo/log.23Jun17.airebo.g++.1
# examples/airebo/log.23Jun17.airebo.g++.4
# examples/airebo/log.27Nov18.airebo-m.g++.1
# examples/airebo/log.27Nov18.airebo-m.g++.4
# examples/airebo/log.27Nov18.airebo.g++.1
# examples/airebo/log.27Nov18.airebo.g++.4
# examples/airebo/log.29Jun18.airebo-m.g++.1
# examples/airebo/log.29Jun18.airebo-m.g++.4
# examples/airebo/log.29Jun18.airebo.g++.1
# examples/airebo/log.29Jun18.airebo.g++.4
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2018-12-30 03:44:38 -05:00 |
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96c7f256f9
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Merge branch 'snap-foundtest' of https://github.com/athomps/lammps into collected-post-stable-patches
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2018-12-12 00:16:36 -05:00 |
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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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2d0d08093b
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Another attempt to add Lebedeva potential
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2018-11-28 09:33:44 +01:00 |
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