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29574eaa45
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added "likewise" as suggested by @sjplimp
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2019-10-11 17:19:47 +02:00 |
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da56c7fc66
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document freshly added warnings in header and manual
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2019-10-11 16:47:35 +02:00 |
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6e244bc8dc
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Merge pull request #1631 from jibril-b-coulibaly/patch-2
Bug fixes for pair style granular
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2019-10-09 14:14:48 +02:00 |
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945f903683
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added an examples/UNITS dir
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2019-10-08 18:02:21 -06:00 |
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e77e286d95
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Merge pull request #1707 from charlessievers/lammps_gjf
Lammps gjf small updates
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2019-10-08 23:06:36 +02:00 |
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0e10fbb133
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Merge pull request #1690 from charlessievers/third_order
Added third order, added documentation, took out extraneous lines, ad…
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2019-10-08 21:57:15 +02:00 |
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9b15f4e2dc
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Added the change to langevin gjf documentation
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2019-10-08 12:47:30 -07:00 |
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4f57332a89
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Merge pull request #1706 from TOFarmer/create_bonds_improper
Add single/improper to create_bonds
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2019-10-08 21:40:31 +02:00 |
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ac8f2e431e
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fix a few cut-n-paste issues
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2019-10-08 14:49:20 +02:00 |
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cf11e4be3c
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Added documentation for single/improper
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2019-10-08 11:51:19 +01:00 |
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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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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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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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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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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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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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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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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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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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b0b340051c
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Merge pull request #1684 from akohlmey/cxx-11-test
Implement test for C++11 and document it
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2019-09-19 11:46:08 -04:00 |
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ed6dd1a632
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Merge pull request #1666 from tanmoy7989/local_density
added LD potential and wrote html-style doc
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2019-09-19 11:45:46 -04:00 |
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d4dbc32ba2
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Merge pull request #1672 from akohlmey/dump-with-unit
Add ITEM: UNITS line to native text format dumps
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2019-09-19 10:31:13 -04:00 |
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eab66f27fd
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Merge pull request #1681 from akohlmey/collected-small-fixes
Collected small changes for next patch release
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2019-09-19 10:27:54 -04:00 |
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b049b59015
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revised documentation and added a citation trigger in .cpp file
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2019-09-19 00:25:22 -07:00 |
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5dba4b66c8
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add warning banner to the LAMMPS output and refer to the C++11 issue on github
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2019-09-18 16:56:14 -04:00 |
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2ea11b3195
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implement test for C++11 and document it
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2019-09-18 15:50:26 -04:00 |
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572235e66a
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Merge pull request #1660 from tanmoy7989/reorder_remd_traj
python tool to reorder replica traj
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2019-09-17 17:29:50 -04:00 |
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