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1135d6be64
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Noting artificial/visc exception in doc
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2024-04-10 10:44:41 -06:00 |
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c63c1856ec
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Fix compilation error, edit artificial visc toggle
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2024-04-04 11:21:42 -06:00 |
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ceec24d50b
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Adding hybrid support to BPM, more doc pages
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2024-04-04 09:42:10 -06:00 |
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08db64c27f
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More updates for oxidation, more doc pages
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2024-03-31 21:40:34 -06:00 |
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7ea0dc3996
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Adding more oxidation features + doc pages
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2024-03-29 19:00:14 -06:00 |
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010a4c076b
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Prototyping oxidation
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2024-03-28 11:31:21 -06:00 |
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b3de75da97
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Cleaning up math, fixing tension bug, patching bond creation
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2024-02-23 13:26:28 -07:00 |
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70ea1dd352
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Refreshing no shift flag for solid particles
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2024-01-23 14:58:31 -07:00 |
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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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574ccc64eb
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Fixing bugs for solid particles
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2024-01-23 14:04:10 -07:00 |
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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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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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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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0ad1d29c4d
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Merge pull request #4047 from stanmoore1/kk_fix_exchange_bug
Fix bug in some Kokkos fixes' unpack exchange on device
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2024-01-18 14:58:09 -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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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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bf9b8606ef
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Merge pull request #3905 from jrgissing/bond_react_fixes_aug23
Assorted bond/react fixes
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2024-01-18 14:41:01 -05:00 |
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3b3ab4207b
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Merge pull request #4042 from akohlmey/fmtlib-10.2.1
Update embedded fmtlib code to version 10.2.1
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2024-01-18 14:33:28 -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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90a79d9a4b
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change unit test to include expressions with constant force or potential
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2024-01-18 11:06:52 -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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f3c5002634
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Merge branch 'lammps:develop' into bond_react_fixes_aug23
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2024-01-18 10:00:00 -05:00 |
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57db9be64f
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add support for Lepton expressions with constant force or constant potential
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2024-01-18 09:46:23 -05:00 |
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5304c43fef
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add test for exceptions and evaluation of compiled expressions
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2024-01-18 04:32:20 -05:00 |
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2d8f622c6a
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Merge pull request #4039 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-01-17 19:28:48 -05:00 |
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189b08b4a5
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Fix bug in some Kokkos fixes' unpack exchange on device
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2024-01-17 14:47:59 -07:00 |
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9c4597b5e9
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more GPU package cleanup from Trung
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2024-01-17 16:12:36 -05:00 |
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6e2df52c8f
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remove dead code and align better with LAMMPS programming style
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2024-01-17 16:09:16 -05:00 |
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16d4811592
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move fix bond/history back to src folder
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2024-01-17 15:48:03 -05:00 |
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d5da47cf33
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Revert "adjust a few more fix styles for fix bond/history being optional"
This reverts commit 497c48bd80.
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2024-01-17 15:47:11 -05:00 |
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b47ad7acf4
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Revert "make delete_bonds command code compatible with BPM package not being installed"
This reverts commit 715b030bd6.
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2024-01-17 15:46:03 -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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ff0d18114e
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silence compiler warnings
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2024-01-17 13:25:46 -05:00 |
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f23ba8fbad
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make certain temporary test files are deleted
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2024-01-16 17:54:08 -05:00 |
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f5cbef8b12
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fix typo
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2024-01-16 15:57:42 -05:00 |
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deb8416630
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update tests for echoing the title line of molecule files
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2024-01-16 13:53:07 -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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103d8cadb9
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add unit tests for dipoles in molecule files
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2024-01-16 13:05:49 -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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e3f81a2513
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correct typo
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2024-01-16 04:11:56 -05:00 |
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e82ba61183
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loop over all neighbor lists for created bonds same as for broken bonds
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2024-01-16 04:02:38 -05:00 |
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67f06097ee
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Updating utils functions for pair rheo/react
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2024-01-15 22:04:26 -07:00 |
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a34ddd7ccd
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Merge branch 'rheo' of github.com:jtclemm/lammps into rheo
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2024-01-15 17:26:42 -07:00 |
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56764f0244
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Merge branch 'develop' into rheo
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2024-01-15 17:26:23 -07:00 |
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6f0fab8b08
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bugfix for pair style coul/slater/long/gpu from Trung
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2024-01-15 12:29:05 -05:00 |
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74656f4e04
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silence compiler warnings
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2024-01-15 12:27:05 -05:00 |
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4d830f1450
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Merge branch 'develop' into collected-small-changes
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2024-01-15 09:23:35 -05:00 |
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8076d89422
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Merge pull request #4037 from akohlmey/bigint_dof_computation
Make computation of PPPM grid counts and DOFs removed by fixes compatible with large systems
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2024-01-15 09:22:43 -05:00 |
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