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f1c79fb914
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Merge pull request #1096 from ProfessorMiller/master
Changes to the NH fix enabling Cauchy stress control (Cauhchystat) du…
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2020-01-15 17:35:03 -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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48cdd6c2fb
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refactor mesocnt example to be better suited for testing and add logs
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2020-01-15 14:23:19 -05:00 |
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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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331fff0613
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moved files to USER-MISC, added README entry, added examples
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2020-01-15 12:07:26 +00:00 |
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ceeae57172
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enhanced stochastic wall example
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2020-01-14 13:20:35 -07:00 |
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b9c6e0f700
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Merge pull request #1691 from toquydong/stochasticwall
Implementation of statistical gas wall boundary conditions
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2020-01-14 14:11:16 -05:00 |
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531946a35f
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updated hyper examples
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2020-01-14 11:14:48 -07:00 |
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00ffa5cc10
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Create in.shearflow
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2020-01-14 18:58:38 +01:00 |
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99dc283f82
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Merge branch 'master' into message-iterate
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2020-01-13 09:30:51 -07:00 |
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ebdc4b1ce3
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rework npt/cauchy example to use bundled potential, run shorter and move to proper folder
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2020-01-12 14:46:55 -05:00 |
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107c5bbced
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Merge branch 'master' into cauchystat and resolve conflicts
# Conflicts:
# cmake/CMakeLists.txt
# doc/src/Commands_fix.txt
# doc/src/Packages_details.txt
# doc/src/Packages_user.txt
# doc/src/fix_nh.txt
# doc/src/fixes.txt
# doc/src/lammps.book
# src/Makefile
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2020-01-12 13:58:41 -05:00 |
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587fc9d962
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Merge pull request #1828 from lammps/post-patch-tweaks
minor omissions in recent patch release
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2020-01-11 21:00:09 -05:00 |
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67b9fd10cc
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rename output files to correctly match the used version
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2020-01-11 16:12:58 -05:00 |
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d5192c1043
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added an example for recalculating the RDF at a longer cutoff via rerun
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2020-01-10 14:37:45 -07:00 |
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6e3559a6e7
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added rerun example dir
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2020-01-10 14:09:38 -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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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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