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81ce8ecdd0
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tweak README
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2024-04-08 17:30:18 -06:00 |
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e6f4c49b70
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add simple general triclinic example files
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2024-04-08 17:29:23 -06:00 |
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f1c2a22e2d
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more tweaks
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2024-04-08 16:25:17 -06:00 |
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d615d8053b
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support for general tri edge vectors in thermo output
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2024-04-05 14:31:53 -06:00 |
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905ceb98f1
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merge in current develop
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2024-04-05 09:36:29 -06:00 |
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65cdc76c99
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final changes for 2d rigid bodies with jacobi
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2024-04-04 13:07:35 -06:00 |
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01d412bdbf
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Merge branch 'develop' into general-triclinic
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2024-03-08 21:32:01 -05:00 |
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c6f90b2ae3
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Merge branch 'develop' into collected-small-fixes
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2024-03-05 18:27:20 -05:00 |
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3f91ee142b
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Merge branch 'develop' into electrode
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2024-03-04 09:31:07 -05:00 |
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6a1f1f7dbc
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add missing symlink
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2024-03-04 09:25:07 -05:00 |
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8e6ce1d0b9
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Remove nonneut examples
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2024-03-04 08:52:05 +01:00 |
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2809428fe2
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make computes rdf and adf error out multi cutoff neighbor lists if needed
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2024-03-03 12:27:39 -05:00 |
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2c9dfa3ea7
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update MS-MEAM examples
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2024-03-01 18:54:35 -05:00 |
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0096c06def
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Merge branch 'develop' into collected-small-changes
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2024-02-26 20:02:29 -05:00 |
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4d89741d8c
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Merge pull request #4091 from jtclemm/BPM
Small fixes to GRANULAR/BPM packages
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2024-02-26 20:01:57 -05:00 |
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3d55fc4ec2
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Merge branch 'develop' into collected-small-changes
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2024-02-26 17:14:18 -05:00 |
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35db949e77
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Merge pull request #4069 from vladgl/fix_wall_flow
New fix implementing flow boundary conditions
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2024-02-26 12:46:20 -05:00 |
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8501c3de6c
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Merge pull request #4087 from akohlmey/add-rebomos-pair-style
Add rebomos pair style with examples and unit test
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2024-02-26 11:38:10 -05:00 |
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b8c8b4d19b
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use -rdynamic for re-exporting symbols when using plugins
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2024-02-25 21:11:31 -05:00 |
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e7b0c8b3c5
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synchronize LAMMPS C++ interface CMake modules
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2024-02-24 17:29:25 -05:00 |
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98b3d19c40
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link with static liblammps.a when available to avoid dynamic linker error when loading plugins
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2024-02-24 17:01:53 -05:00 |
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04bccd0a9f
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whitespace
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2024-02-23 19:08:46 -05:00 |
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dd4cd240df
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Moving temp/heat keywords out of dump to compute prop/atom
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2024-02-23 14:31:40 -07:00 |
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22d0b202c4
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update example logs for change in cutoff setting
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2024-02-22 13:37:59 -05:00 |
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d6d9a91126
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add rebomos potential with examples and unit test
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2024-02-22 09:13:21 -05:00 |
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835b65b644
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Merge branch 'develop' into general-triclinic
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2024-02-21 14:53:32 -07:00 |
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1edec590bb
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Logs for eta mix example
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2024-02-19 15:01:51 +01:00 |
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dd6df6edb2
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Merge branch 'develop' into fix_wall_flow
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2024-02-08 17:52:16 -05:00 |
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93fcf3cc75
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move fix to EXTRA-FIX package, update docs, add reference logs to example
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2024-02-07 15:07:11 -05:00 |
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df7662162e
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Add example
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2024-02-07 13:55:27 +03:00 |
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9921338ee1
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update log files for MGPT package
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2024-02-07 03:57:12 -05:00 |
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dbdcfc5c97
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-02-06 19:21:50 -05:00 |
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adc79272c9
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update log files for current code
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2024-02-01 00:12:04 -05:00 |
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35215606e8
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Merge remote-tracking branch 'lammps/develop' into merge-develop
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2024-01-31 14:41:36 +01:00 |
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7905e5d146
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-01-29 21:05:21 -05:00 |
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c7a3571974
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add library interface to Variable::internal_set()
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2024-01-24 03:59:29 -05:00 |
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8cf2705d68
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Merge branch 'develop' into general-triclinic
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2024-01-18 15:01:09 -05:00 |
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14abc184f8
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Merge pull request #4040 from alphataubio/cgdna
[CG-DNA examples/util] fixed indentations and ported python 2 code to python 3
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2024-01-18 14:55:41 -05:00 |
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a3682e1bd5
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retain compatibility with python 2.x
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2024-01-13 04:56:16 -05:00 |
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5b05112aab
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fixed indentations and ported python 2 code to python 3
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2024-01-12 18:19:50 -05:00 |
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c60217123a
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Merge branch 'lammps:develop' into bond_react_fixes_aug23
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2024-01-10 18:45:29 -05:00 |
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c6d1cbef5a
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Merge branch 'develop' into general-triclinic
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2024-01-04 21:10:50 -05:00 |
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13b6d40062
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tiny_epoxy example correction
not sure why this issue showed up in recent LAMMPS versions
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2024-01-03 20:38:10 -05:00 |
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d9ea10ca24
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Merge branch 'lammps:develop' into bond_react_fixes_aug23
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2024-01-03 14:59:26 -05:00 |
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4ea40ed2fd
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Merge branch 'ilp-tmd-update' of github.com:oywg11/lammps into collected-small-fixes
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2023-12-22 14:45:43 -05:00 |
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8cf958e241
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Merge branch 'aip-water-update' of github.com:oywg11/lammps into collected-small-fixes
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2023-12-22 14:44:27 -05:00 |
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dedbd8f6db
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improvements from clang-tidy
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2023-12-21 14:25:31 -05:00 |
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de066bcde0
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Merge remote-tracking branch 'lammps/develop' into electrode
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2023-12-21 14:13:16 +01:00 |
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aa221e2f2b
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add new potential file for aip/water/2dm
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2023-12-21 10:28:53 +08:00 |
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e98df7018b
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update the example files
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2023-12-19 08:17:43 +08:00 |
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