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3144b91fb3
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Some code clean-up, added safety check in post_force_velocity.
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2020-01-10 11:31:58 +01:00 |
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074dfd8651
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Commit before merging latest changes in master.
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2020-01-10 11:31:57 +01:00 |
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3d813fec6b
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Slightly modified example.
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2020-01-10 11:31:19 +01:00 |
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c93ca5b4a4
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Added a fix to add active force to particles.
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2020-01-10 11:31:16 +01:00 |
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c3922c7e35
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rename package USER-REACTION
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2020-01-09 20:07:41 -07:00 |
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664227ff11
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one more tweak
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2020-01-09 17:41:02 -07:00 |
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d1222bd3c0
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minor omissions in recent patch release
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2020-01-09 17:38:50 -07:00 |
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481c647889
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Merge pull request #1776 from Vsevak/tip4p_gpu
GPU support for lj/cut/tip4p/long pair style
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2020-01-08 15:35:39 -05:00 |
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c5768acbbc
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Merge pull request #1801 from lammps/rigid-gravity
enable fix rigid commands to add gravity to COM of rigid bodies
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2020-01-08 14:47:03 -05:00 |
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7bc8c8e9d8
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Minor tweaks to in.rigid.gravity example
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2020-01-06 21:26:34 -07:00 |
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6aa4f4caf6
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Added example script and input data file showing benefits of new fix gravity and fix rigid options
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2020-01-06 21:18:00 -07:00 |
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1dc8d4acaa
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bond/react: repackage examples
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2020-01-01 12:58:10 -05:00 |
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293e5c3242
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bond/react: tiny polystyrene example
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2019-12-31 19:35:42 -05:00 |
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895c6be182
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bond/react: tiny epoxy example
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2019-12-31 19:32:28 -05:00 |
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081839b449
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Fix the example according to the convention
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2019-12-19 16:44:32 +03:00 |
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6c3161cb55
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Merge pull request #1796 from athomps/compute-snap-tweak
Fixed error in compute snap for quadratic and add log files for regre…
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2019-12-13 11:55:20 -07:00 |
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e68824a392
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Merge pull request #1772 from ohenrich/user-cgdna
USER-CGDNA oxRNA2 Implementation
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2019-12-06 12:23:47 -07:00 |
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e08ba3f11e
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Merge branch 'master' into library_interface_update
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2019-12-03 12:51:17 -05:00 |
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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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3ce020eab2
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Merge pull request #1779 from athomps/compute-snap
Compute snap
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2019-12-01 12:52:22 -07:00 |
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8bca0b13f1
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Commit2 JT 112219
- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid)
- rerunning all examples with corrections of former commit
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2019-11-22 16:29:37 -07:00 |
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b4ba356f7b
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Commit JT 111919
- generated fresh log. files in examples
- corrected some of the examples
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2019-11-19 15:50:56 -07:00 |
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a0c51b40b9
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Commit2 JT 111919
- renaming validation directory
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2019-11-19 12:54:30 -07:00 |
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b109fd1687
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Commit JT 111919
- modified named of tests, from benchmark to validation
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2019-11-19 12:50:52 -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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7f448a02b1
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Add examples/water
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2019-11-17 22:01:29 +03:00 |
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f4491011d0
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Modified README
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2019-11-15 18:54:37 +00:00 |
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0346a3d6d1
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Commit JT 111519
- add README file to the benchmark examples repo
- removed comments from src/SPIN files
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2019-11-15 10:53:39 -07:00 |
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f96520ffc6
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Added unique base pairing
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2019-11-15 17:49:17 +00:00 |
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1df3a71734
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Updated documentation
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2019-11-15 15:35:19 +00:00 |
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93bd2f4ab0
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Commit JT 111319
- addind 4 first benchmark examples (in examples/SPIN/benchmark)
- corrected typo in examples (in dump commands)
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2019-11-13 20:46:28 -07:00 |
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78d5bc3d12
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Merge branch 'master' into library_interface_update
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2019-11-12 15:17:32 -05:00 |
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d64bc2a1b7
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Commit JT 110419
- commit changes examples
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2019-11-04 08:05:07 -07:00 |
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84165da4e7
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Deleted old log files
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2019-10-17 19:34:04 +01:00 |
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c6f637f78f
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Merge branch 'master' into user-cgdna
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2019-10-17 18:40:50 +01:00 |
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5652154b3c
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Added log files
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2019-10-17 18:37:55 +01:00 |
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b29a962032
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Corrected r_stk_high coefficient
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2019-10-17 16:16:28 +01:00 |
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bfcab685ce
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add reference outputs to example input
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2019-10-15 17:28:35 +02:00 |
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9c5c33e869
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Updated gjf examples
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2019-10-14 14:39:45 -07:00 |
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f2840176b3
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clarified the README
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2019-10-08 18:14:32 -06:00 |
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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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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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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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b9d68f93af
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remove debug statement
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2019-10-03 17:04:40 -06:00 |
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5c92e5aa01
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added W minimization example
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2019-10-03 17:02:04 -06:00 |
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319df973d9
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Fix typo in cmd line
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2019-10-02 11:27:21 -05:00 |
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