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e4c3b0c05e
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New example and log files
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2025-04-14 11:33:02 -07:00 |
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09d3ac0a1b
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Updated GJ-VII, GJ-VIII
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2025-04-11 20:07:25 -07:00 |
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7a40e78c7a
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Merge conflict
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2025-04-11 11:21:56 -06:00 |
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f786707699
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Cleaning up granular restitution example
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2025-04-11 11:14:34 -06:00 |
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43a7b14b7c
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New example structure
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2025-04-10 12:01:02 -07:00 |
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8c1aada9cb
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Support constant lambda in APIP.
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2025-04-10 16:05:16 +02:00 |
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585565edb9
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corrected initialization of damp_type, error checks, doc changes, example script updates
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2025-04-08 20:33:28 -04:00 |
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139ecd0e90
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Merge branch 'lammps:develop' into develop_ap
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2025-04-08 16:03:25 +02:00 |
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535d08895a
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Add APIP package.
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2025-04-08 15:26:45 +02:00 |
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7643c901eb
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cleaned mdr damping and updated velocity damping for mdr use
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2025-04-07 22:57:29 -04:00 |
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ea76dc99e9
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Adding damp coeff back in
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2025-04-04 15:20:55 -06:00 |
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30bbbafd9d
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Cleaning up MDR files
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2025-04-04 09:57:43 -06:00 |
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384d7f446b
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updated damping in mdr example sims
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2025-04-03 11:56:16 -04:00 |
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cb8550465e
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Merge pull request #4507 from navlalli/qeqr
Add fix qeq/rel/reaxff
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2025-04-02 13:19:55 -04:00 |
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935e323d08
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Merge branch 'develop' into bond/react-molmap_option
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2025-03-30 23:27:50 -04:00 |
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367dd4635b
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Merge remote-tracking branch 'github/develop' into qeqr
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2025-03-29 18:41:36 -04:00 |
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d515af2e2b
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Merge branch 'develop' into library-handle-argument-errors
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2025-03-26 05:13:10 -04:00 |
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5a62d0a129
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correct data in data file and pair_coeff changes are no longer needed
also re-create reference log files
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2025-03-25 03:01:38 -04:00 |
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d830412228
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added boolean
the read_data is not reading slater boolean of pair_coeff
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2025-03-24 16:04:40 +01:00 |
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e0322b96ec
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sync new library interface function across all interfaced derived packages
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2025-03-24 04:33:27 -04:00 |
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e11245d0fd
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Add examples for fix qeqr/reaxff
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2025-03-20 10:42:12 +00:00 |
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07c0c435ef
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Merge branch 'develop' into remove-smallsmall
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2025-03-15 02:11:02 -04:00 |
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3aba21f6e2
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Merge pull request #4481 from akohlmey/collected-small-fixes
Collected small fixes and changes
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2025-03-14 18:10:14 -04:00 |
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557d279774
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remove references to SMALLSMALL from examples
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2025-03-14 16:31:09 -04:00 |
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03f71259c1
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Merge pull request #4494 from lammps/example-input-fixes
fixed issues with several input scripts, added reference log files
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2025-03-13 14:34:44 -04:00 |
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8c9e1fe6a2
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update pimd/*/bosonic examples
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2025-03-13 04:00:54 -04:00 |
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0a4a2f6deb
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Merge branch 'develop' into collected-small-fixes
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2025-03-13 03:06:14 -04:00 |
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f097e8d951
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Merge pull request #4479 from yotamfe/bosonic-pimd-langevin
Adding support for bosonic path integral molecular dynamics simulations
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2025-03-12 15:28:51 -04:00 |
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38903fb7d2
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replace (evil) tabs with spaces
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2025-03-12 14:30:33 -04:00 |
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5068406c03
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fixed incorrect path to the potential file
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2025-03-11 16:41:41 -05:00 |
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0004a384fe
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fixed issues with several input scripts, added reference log files
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2025-03-11 16:10:04 -05:00 |
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242f77fce9
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Changed the names of fix pimdb/* commands to pimd/*/bosonic; Changed file names accordingly.
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2025-03-11 10:56:07 +02:00 |
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1e819efcf8
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update examples for consistency
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2025-03-10 17:11:53 -04:00 |
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08f8be18e5
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rework SPIN restart/data file examples
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2025-03-10 17:04:16 -04:00 |
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4246fab500
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Merge pull request #4462 from jtclemm/BPM
Elastic-plastic bond style
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2025-03-08 22:26:05 -05:00 |
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885099cf77
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Merge branch 'develop' into dhairyaiitb_develop
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2025-03-04 21:29:40 -05:00 |
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bc3aafd324
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update log files after bugfix to pair_style ylz
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2025-03-03 08:06:33 -07:00 |
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361f0dbe3c
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Update README
Corrected typo
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2025-02-26 12:58:33 +02:00 |
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d46edfed6d
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Added example input files for fix pimdb/nvt and fix pimdb/langevin
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2025-02-26 11:37:41 +02:00 |
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a31f4f79b8
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Merge branch 'develop' into sync_verlet
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2025-02-19 12:32:29 -07:00 |
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dafbe5541a
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Changing default log to sync on, adding wall
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2025-02-19 12:15:36 -07:00 |
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abc8954c5c
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Adding line breaks
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2025-02-19 11:28:05 -07:00 |
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0a1b10faef
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updated version based on feedback
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2025-02-18 12:58:09 -06:00 |
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fa285d9733
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Merge branch 'develop' into BPM
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2025-02-04 16:02:57 -07:00 |
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edaab05db6
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Tweaking BPM plastic example parameters
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2025-02-04 13:12:35 -07:00 |
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848a4300fe
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Merge branch 'develop' into collected-small-fixes
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2025-02-03 14:54:38 -05:00 |
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e9f07af140
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added the reference log files for example inputs under PACKAGES/eff
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2025-02-01 14:55:38 -06:00 |
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f89ba1f354
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update ReaxFF reference log files for current version of LAMMPS and use consistent names
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2025-02-01 11:22:59 -05:00 |
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62d703a1f4
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fixed lost atoms error with smaller time step for energy conservation and added reference log files for PACKAGES/eff/Auger-Adamantane
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2025-01-31 23:13:31 -06:00 |
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42e379a8de
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Merge remote-tracking branch 'github/develop' into add-error-explanations
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2025-01-31 03:23:51 -05:00 |
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