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8c063343a1
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Merge branch 'master' into collected-small-changes
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2019-10-07 18:54:33 +02:00 |
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ed467d8867
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Merge branch 'master' of github.com:alxvov/lammps into OSO
- solved conflict in doc/src/fix_nve_spin.txt
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2019-10-04 08:56:49 -06:00 |
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ed5678d646
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Merge pull request #1673 from charlessievers/lammps_gjf
Lammps fix langevin updates for gjf option
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2019-10-04 10:02:46 +02:00 |
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a102d2343e
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Merge pull request #1692 from julient31/restart-correction
Bug correction in the SPIN package, and fix nve/spin option modification
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2019-10-04 09:55:40 +02:00 |
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afc9627506
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Add files via upload
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2019-10-04 09:52:45 +02:00 |
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747bfa31f2
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apply changes suggested by Andrew Santos
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2019-10-03 18:31:42 +02:00 |
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227a82e19f
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an update to the documentation in doc/src/fix_deposit.txt describing the orientation rx ry rz to restrict random rotation
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2019-10-02 15:47:10 -04:00 |
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bb4dc59803
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fix typo
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2019-09-30 16:33:07 -04:00 |
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6cd460072b
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add docs for dump_modify time yes. consolidate keywords
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2019-09-30 11:01:41 -04:00 |
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fc10817950
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Merge remote-tracking branch 'origin/OSO' into OSO
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2019-09-30 14:55:45 +00:00 |
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14933958f7
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change units
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2019-09-30 14:55:33 +00:00 |
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23040a98f8
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adds an angle constraint option for reacting molecules
also, previously, reaction templates had to contain more than two atoms
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2019-09-28 23:10:34 -06:00 |
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214850088b
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add NWChem wrapper to client/server mode for AIMD
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2019-09-27 15:28:48 -06:00 |
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5927f056c5
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Removed redundant and out of scope gjf info from fix_langevin.txt
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2019-09-25 17:22:15 -07:00 |
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b771225f3d
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Edit gjf option syntax within fix_langevin.txt
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2019-09-25 17:19:27 -07:00 |
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a605fa867d
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Add files via upload
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2019-09-25 22:11:18 +02:00 |
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c37a64fd4f
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Merge branch 'master' into fft
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2019-09-25 15:56:49 -04:00 |
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a5db0463ec
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list lines in doc source files with non-ASCII characters
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2019-09-25 13:36:57 -04:00 |
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107369518e
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replace non-ASCII characters with their ASCII equivalents
# Conflicts:
# doc/src/fix_wall_stochastic.txt
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2019-09-25 13:36:18 -04:00 |
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a6a78208aa
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Commit3 JT 092419
- modified other doc files
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2019-09-24 16:01:37 -06:00 |
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a0974bc09d
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Commit JT 092419
- changed the nve/spin lattice option
- from (yes/no) to (moving/frozen)
- changed the doc and all examples
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2019-09-24 15:58:22 -06:00 |
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6e56672b02
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replace non-ASCII characters with their ASCII equivalents
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2019-09-24 16:33:56 -04:00 |
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c298429886
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correct legacy pdf build
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2019-09-24 16:33:28 -04:00 |
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8e1fc8944a
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small tweak
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2019-09-24 16:00:17 -04:00 |
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d9306a5865
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Commit JT 092419
- added inf norm option
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2019-09-24 13:58:56 -06:00 |
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7e6910dfe6
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correct links
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2019-09-24 15:42:25 -04:00 |
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ed5407e998
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add spellchecker false positives
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2019-09-24 14:19:43 -04:00 |
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be88e65c7e
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reformat doc file and adjust so it converts without warnings
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2019-09-24 14:19:30 -04:00 |
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cf72a30bfd
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integrate fix wall/stochastic docs into manual
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2019-09-24 14:18:49 -04:00 |
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a3e255b314
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Merge branch 'master' into stochasticwall
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2019-09-24 12:08:38 -04:00 |
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12ffa868b3
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strip CR characters from source files
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2019-09-24 12:08:16 -04:00 |
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a31aa5debc
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Merge branch 'master' of github.com:alxvov/lammps into OSO
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2019-09-23 14:22:26 -06:00 |
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34f8104146
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Commit3 JT 092319
- corrected a typo in doc/src/min_modify.txt
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2019-09-23 13:52:48 -06:00 |
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bc0ff0db61
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Commit2 JT 092319
- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
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2019-09-23 13:48:33 -06:00 |
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56e1a05287
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Commit JT 092319
- modified norm input in min_modify
- corrected doc/src/min_modify.txt
- added expression of the norms
- added a min max method in src/min.h
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2019-09-23 11:12:31 -06:00 |
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36f417ac14
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Add files via upload
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2019-09-23 18:23:15 +02:00 |
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fddc164d5b
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register a couple more false positives to clear doc test
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2019-09-23 11:54:46 -04:00 |
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03de73f66f
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rename "ballistico" keyword to "eskm" to match dynamical_matrix
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2019-09-23 11:54:26 -04:00 |
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2da6083df2
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fully integrate third_order command into manual and READMEs
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2019-09-23 11:53:37 -04:00 |
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804a49c3ea
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Merge branch 'master' into third_order
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2019-09-23 11:39:01 -04:00 |
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b681e6e82d
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Delete fix_wall_maxwell.txt
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2019-09-23 16:12:49 +02:00 |
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9db380f335
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Delete fix_wall_cl.txt
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2019-09-23 16:12:26 +02:00 |
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a2e706916c
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Delete fix_wall_diffusive.txt
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2019-09-23 16:11:49 +02:00 |
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cf1c31cd3d
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Added third order, added documentation, took out extraneous lines, added documentation figures.
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2019-09-20 14:42:04 -07:00 |
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aa2b885783
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Merge pull request #1687 from akohlmey/next_patch_release
Step version string for next patch release
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2019-09-19 17:18:12 -04:00 |
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6f06b3ecf1
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Merge pull request #1645 from jrgissing/bond/react-max_rxn-bug
Bond/react: max_rxn bugfix + restart reaction counts
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2019-09-19 15:21:40 -04:00 |
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b7d9337da4
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remove a tab
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2019-09-19 15:13:53 -04:00 |
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077647b4e2
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whitespace cleanup
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2019-09-19 14:54:48 -04:00 |
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95f59f5bf1
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cosmetic changes
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2019-09-19 13:58:30 -04:00 |
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5c74782c84
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step version for next patch release
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2019-09-19 11:54:24 -04:00 |
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