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a3e4788221
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Minor edits
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2024-03-20 16:23:17 +00:00 |
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add5fc07fd
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Changed user permissions
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2024-03-20 16:23:17 +00:00 |
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c5fc65433a
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Updated and added utility scripts
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2024-03-20 16:23:17 +00:00 |
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e8606a51da
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Changed permissions to non-executable
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2024-03-20 16:23:17 +00:00 |
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7fa0e7b730
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Added script for 2-particle visualisation
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2024-03-20 16:23:17 +00:00 |
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af5c8bcd22
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Merge branch 'develop' into pace-mliap
# Conflicts:
# src/ML-IAP/compute_mliap.cpp
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2024-03-12 09:05:46 -04:00 |
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b23c586236
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mliap ace docs and example logs
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2024-03-11 13:34:29 -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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f19d9a9f4e
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ACE mliap examples
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2024-02-14 16:18:56 -07:00 |
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e5fbd15b9d
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ACE mliap examples and virial support
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2024-02-14 15:06:01 -07:00 |
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0951e28a08
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Merge branch 'develop' into replicate_periodic_box
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2024-02-13 18:52:43 -05:00 |
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9c7b169003
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Renamed the log files under examples/bpm
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2024-02-12 19:43:05 -06:00 |
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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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194b45b729
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Example file
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2024-02-07 09:52:02 -06:00 |
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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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b1688d4287
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Merge branch 'upstream' into regression-tests
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2024-01-31 13:48:49 -06:00 |
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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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153e30227e
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Added function to extract output from an existing log file into a yaml data structure, working on in place testing
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2024-01-29 18:07:21 -06:00 |
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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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affb879037
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Merge branch 'develop' into rheo
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2024-01-18 14:52:15 -07:00 |
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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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8a53542dd1
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updated examples
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2024-01-16 11:59:25 -07:00 |
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68f770dee9
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ACE mliap initial commit
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2024-01-16 11:31:53 -07:00 |
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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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