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2749e091c7
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update nemd example so it is reproducible
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2024-09-30 22:10:00 -04:00 |
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ba071fe55a
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Merge branch 'develop' into small-patches
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2024-09-27 15:30:31 -06:00 |
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65cacc7ef4
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recreate log files for MS-MEAM due to changes to the code.
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2024-09-27 14:29:05 -04:00 |
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2c2eb31362
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Updating example logs affected by fix pour
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2024-09-25 15:39:44 -06:00 |
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12b67e0fd1
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update ASPHERE/line example to follow conventions and avoid crashes.
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2024-09-21 17:48:17 -04:00 |
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02698e9d36
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Merge branch 'bond/react-molmap_option' of https://github.com/jrgissing/lammps into bond/react-molmap_option
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2024-09-20 23:51:01 -04:00 |
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1fb695f354
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copy/paste error in bond/react example
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2024-09-20 23:50:49 -04:00 |
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3902215018
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add lammps_expand to plugin wrapper
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2024-09-20 03:56:19 -04:00 |
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96c776c51f
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Add log files for qtpie/reaxff examples
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2024-09-13 18:08:14 +01:00 |
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58272bca00
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move and update ctip example
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2024-09-12 00:17:21 -04:00 |
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5a12c762f3
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Merge branch 'develop' into ctip
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2024-09-11 23:36:16 -04:00 |
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94e3351e4f
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Merge pull request #4308 from lammps/quick-regression
Add a quick and full regression test as GitHub Actions
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2024-09-10 23:28:49 -04:00 |
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6488fd2a48
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reorganize example, potentials, logfiles
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2024-09-10 21:14:52 -04:00 |
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25f33e8721
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Add water examples featuring fix qtpie/reaxff
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2024-09-10 16:20:51 +01:00 |
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48689d1925
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Merge branch 'develop' into ctip
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2024-09-09 20:46:09 -04:00 |
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95cb7d7dd8
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Merge branch 'develop' into quick-regression
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2024-09-05 17:23:52 -04:00 |
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e240619b94
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update pace plugin loader to include the two additional styles added
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2024-09-03 22:30:32 -04:00 |
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591d20b00d
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Merge branch 'develop' into quick-regression
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2024-08-31 23:16:27 -04:00 |
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9d9e591b54
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first try at implementing lammps_extract_atom_size()
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2024-08-30 22:50:42 -04:00 |
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af5f437aeb
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update list of dependencies
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2024-08-28 15:30:44 -04:00 |
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acfed12684
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avoid recursion. there is only one executable.
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2024-08-28 15:12:46 -04:00 |
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4e8c1f3284
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Merge branch 'develop' into plumed-plugin
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2024-08-28 14:28:05 -04:00 |
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f5ffb28a1f
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use the log file with 1 proc in serial runs, removed examples/bpm/impact/brokenDump
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2024-08-28 12:57:58 -05:00 |
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98b4771ed6
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sanity check
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2024-08-27 17:18:01 -04:00 |
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49d664583a
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correct define
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2024-08-27 17:00:42 -04:00 |
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dc66929e65
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Merge pull request #4293 from jrgissing/bond_react_fixes_summ24
Bond/react: fixes and error checking
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2024-08-26 10:45:32 -04:00 |
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d1f141c962
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Merge branch 'develop' into plumed-plugin
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2024-08-26 04:17:04 -04:00 |
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e94d32e7d3
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clean up tiny_nylon example
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2024-08-25 14:19:17 -04:00 |
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b4eb027851
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Merge pull request #4289 from lammps/grid-debug
Fix 2 bugs with distributed grids
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2024-08-21 17:21:35 -04:00 |
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92abea3372
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Merge pull request #4273 from jtclemm/small-patches
Few small patches to BPM, RHEO, and GRANULAR packages
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2024-08-21 16:33:28 -04:00 |
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d1fb321eae
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Merge branch 'develop' into small-patches
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2024-08-21 16:04:40 -04:00 |
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a541873b41
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2 bug fixes
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2024-08-21 10:28:24 -06:00 |
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047d1010a0
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Merge branch 'develop' into plumed-plugin
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2024-08-20 11:09:18 -04:00 |
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3ebdc04aac
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Merge branch 'develop' into regression-tests
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2024-08-19 17:50:43 -04:00 |
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12016be69a
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update log file
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2024-08-16 17:36:19 -04:00 |
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4aaf7d7098
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fix LATBOLTZ example
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2024-08-16 14:51:29 -04:00 |
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e4a654c7cd
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fix typo
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2024-08-16 12:49:09 -04:00 |
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56d0d7c1c2
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Updating log file
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2024-08-13 15:28:06 -06:00 |
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5bcfed5fce
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symlink potentials
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2024-08-12 22:02:57 -04:00 |
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a4bff8988b
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add missing potentials via symlinks
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2024-08-12 21:55:13 -04:00 |
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633ff19ab9
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fix up some EFF inputs and create conventional log files
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2024-08-12 21:51:59 -04:00 |
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2115ac8971
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use compliant box creation for 2d
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2024-08-12 21:25:42 -04:00 |
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8a77949db2
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cleanly demo/test using restart files without leaving binary files behind
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2024-08-12 21:19:46 -04:00 |
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462e9756ce
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fix box dimensions to comply with stricter requirement for 2d geometries
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2024-08-12 10:54:00 -04:00 |
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b5929be883
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Merge conflicts
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2024-08-09 15:38:19 -06:00 |
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8f8ff6f636
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updating fix add/heat in example
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2024-08-09 15:36:27 -06:00 |
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62665dd079
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Merge pull request #4266 from akohlmey/geturl-command
New geturl command to download files for LAMMPS inputs on demand
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2024-08-08 13:42:21 -04:00 |
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f197ce3165
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expose new introspection to library interfaces for consistency
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2024-08-07 10:37:20 -04:00 |
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e5957ccc19
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recreate example logs with new colvars version
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2024-08-05 22:12:30 -04:00 |
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cb00839357
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Merge branch 'develop' into plumed-plugin
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2024-07-30 20:30:21 -04:00 |
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