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efbc0e0579
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whitespace
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2024-02-05 17:22:53 -05:00 |
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960b22763d
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Merge branch 'develop' into issue3775_fft_kokkos
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2024-02-05 16:05:59 -05:00 |
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23ed9a0980
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Merge branch 'develop' into issue3775_fft_kokkos
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2024-01-31 12:39:02 -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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cbf56bd7f8
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Merge branch 'develop' into stress_deform
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2024-01-30 18:56:19 -05:00 |
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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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75c20aa5a5
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Merge branch 'develop' into test-fix-numdiff
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2024-01-26 23:21:44 -05:00 |
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14bf502abe
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correct headings
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2024-01-26 15:51:17 -05:00 |
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40782fec09
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fix spelling issues
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2024-01-26 14:55:09 -05:00 |
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e84adc630b
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adjustements to atom_style doc page
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2024-01-26 10:11:35 -07:00 |
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4082ca077e
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Merge branch 'develop' into consolidate-sphere-omega-flag
# Conflicts:
# src/compute_temp_sphere.cpp
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2024-01-25 17:57:53 -05:00 |
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3941baeda1
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Merge pull request #4051 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-01-25 17:55:13 -05:00 |
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9813abe428
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whitespace
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2024-01-25 12:49:01 -05:00 |
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9cae812c51
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Merge branch 'develop' into general-triclinic
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2024-01-25 09:04:46 -05:00 |
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2a95c09d77
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Merge branch 'develop' into patch-8
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2024-01-25 09:04:29 -05:00 |
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9d68b0ecc5
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Merge branch 'develop' into issue3775_fft_kokkos
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2024-01-25 09:03:52 -05:00 |
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ebd493ea77
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update atom_style command documentation
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2024-01-24 16:11:29 -05:00 |
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77e7a71ded
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Fixed typo in NEB documentation (energy units --> dimensionless)
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2024-01-24 14:52:42 -05:00 |
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7b210dd97e
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add documentation for new library APIs to set variables and changes to the old API
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2024-01-24 04:14:03 -05:00 |
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dd7e95cd12
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Merge branch 'rheo' of github.com:jtclemm/lammps into rheo
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2024-01-23 14:04:28 -07:00 |
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7c7f07e28d
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Misc patches and missed changes
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2024-01-22 22:13:29 -07:00 |
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6dc676247f
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Merge branch 'stress_deform' of github.com:jtclemm/lammps into stress_deform
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2024-01-22 21:25:46 -07:00 |
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87b2662ee9
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Moving pressure options to subclass
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2024-01-22 21:21:20 -07:00 |
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52e76502f4
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formatting update, correct references
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2024-01-20 10:53:04 -05:00 |
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80861fe1ff
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New syntax in doc files
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2024-01-19 21:24:27 -07:00 |
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fcc85fb223
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Revert "revert more general doc changes. those are moved to a separate branch for further edits."
This reverts commit fb9ae23516.
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2024-01-18 18:14:41 -05:00 |
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54794a45de
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Merge pull request #4030 from alphataubio/alphataubio-charmmfsw-kk
Kokkos charmmfsw pair and dihedral styles
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2024-01-18 18:10:12 -05:00 |
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4b561d5f8e
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fix typo
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2024-01-18 17:06:58 -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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fb9ae23516
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revert more general doc changes. those are moved to a separate branch for further edits.
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2024-01-18 16:46:47 -05:00 |
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01973ddf23
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Merge branch 'develop' into alphataubio-charmmfsw-kk
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2024-01-18 16:37:27 -05:00 |
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af60285a3f
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Merge pull request #4048 from akohlmey/lepton_updates
Update LEPTON styles for more flexibility
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2024-01-18 16:34:38 -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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fe1b568241
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Merge pull request #4046 from akohlmey/molecule-dipole
Add support for Dipoles section to molecule files
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2024-01-18 14:57:01 -05:00 |
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425421c1ca
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fix typo, cut-n-paste error, and add clarification
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2024-01-18 14:32:40 -05:00 |
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73194764e9
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add optional keywords "auto_offset" and "no_offset" to bond/angle style lepton
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2024-01-18 11:05:52 -05:00 |
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f78f596d9d
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document using enumerator constants in Atom and AtomVec classes
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2024-01-17 14:58:09 -05:00 |
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b6d27dfb96
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add versionadded tag
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2024-01-16 13:06:00 -05:00 |
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9312ce0beb
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store and print title line of molecule
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2024-01-16 12:20:02 -05:00 |
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f6f7392595
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make more user friendly
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2024-01-16 12:04:13 -05:00 |
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87297902a3
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Add support for "Dipoles" section in molecule file
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2024-01-16 12:04:00 -05:00 |
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07876b5d1a
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this limitation no longer applies
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2024-01-14 07:53:33 -05:00 |
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b6b2c029b6
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improve description of testing
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2024-01-14 07:33:31 -05:00 |
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faef34a8d4
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Merge branch 'develop' into rheo
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2024-01-12 13:26:38 -07:00 |
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df5461c27e
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Merge pull request #4021 from jtclemm/BPM
Bug fixes for BPM package
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2024-01-12 15:24:24 -05:00 |
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073a72d933
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fixing merge conflicts
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2024-01-12 11:12:02 -07:00 |
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22c7f0f150
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redid plots to not be misleading with y axis not at 0
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2024-01-11 10:57:00 -05:00 |
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ad7b5e38ab
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Merge branch 'develop' into replicate_periodic_box
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2024-01-10 20:01:42 -05:00 |
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60f1233b07
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Merge branch 'lammps:develop' into create_atoms-overlap_w_mol
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2024-01-10 19:55:18 -05:00 |
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63332eb1b2
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Merge branch 'lammps:develop' into fix_reaxff/species-fixes
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2024-01-10 19:52:55 -05:00 |
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