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49c84dbe1e
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Bugfix virial with fix electrode
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2024-07-01 10:05:28 +02:00 |
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4bb71195aa
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Allow NULL for eta in fix electrode
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2024-06-26 12:08:45 +02:00 |
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37f3233040
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Check the atom style has an atom map
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2024-06-13 17:14:13 +02:00 |
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80e96d8c9b
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Bugfix electrode piston example
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2024-06-13 17:00:01 +02:00 |
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1909233c69
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Merge pull request #4095 from robeme/electrode
Update for the ELECTRODE package
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2024-03-05 10:25:39 -05:00 |
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ad55bb4b8f
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Mention CMake in electrode README
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2024-03-05 09:58:27 +01:00 |
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c7b622699d
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regenerate test reference data
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2024-03-04 09:46:34 -05:00 |
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393fd164db
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small conding style updates
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2024-03-04 09:46:14 -05:00 |
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0a32cd6c7f
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avoid redundant constant definition
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2024-03-04 09:45:54 -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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8e6ce1d0b9
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Remove nonneut examples
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2024-03-04 08:52:05 +01:00 |
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554f53decb
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Merge pull request #4092 from stanmoore1/comm_tiled
Add better Kokkos support for comm_style tiled
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2024-03-01 08:58:39 -05:00 |
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6f03b22b43
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Merge branch 'develop' into comm_tiled
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2024-03-01 03:03:47 -05:00 |
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b0ca503173
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Merge pull request #4090 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-03-01 03:01:49 -05:00 |
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259bcfba1f
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remove one more unused class member
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2024-02-29 22:45:32 -05:00 |
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b15956c13c
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remove unused class members
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2024-02-29 22:26:40 -05:00 |
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f5b1813f14
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silence compiler warnings
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2024-02-29 18:38:31 -05:00 |
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efcee365c1
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Fix issue
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2024-02-29 14:06:21 -07:00 |
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4f0d30b8d6
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Fix data transfer issue
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2024-02-29 11:01:18 -07:00 |
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2130ffaa11
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Fix compiler warning
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2024-02-28 16:02:52 -07:00 |
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a261a6c34c
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whitespace fixes
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2024-02-28 17:45:41 -05:00 |
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1bba2c9e06
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third and final round of include-what-you-use updates
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2024-02-28 17:40:17 -05:00 |
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0d37dddc9e
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restore correct formatting to meam_force.cpp and port changes to KOKKOS
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2024-02-28 17:19:52 -05:00 |
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37c0795691
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Fixed additional errors with multicomponent systems, making msmeamflag independent of ialloy
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2024-02-28 17:02:09 -05:00 |
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81a684f572
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assign ownership for compute reaxff/atom and reaxff/atom/kk
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2024-02-28 15:59:31 -05:00 |
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0ce25755cd
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second round of include-what-you-use updates
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2024-02-28 15:37:13 -05:00 |
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1359c52f30
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include-what-you-use updates
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2024-02-27 23:42:24 -05:00 |
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5967865af9
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remove unused class member
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2024-02-27 22:42:13 -05:00 |
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9a0ce2d5c7
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2024-02-27 20:57:03 -05:00 |
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73e42481f7
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modernize and consolidate ML compute styles
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2024-02-27 20:55:52 -05:00 |
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eb9b1e163d
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modernize and coding style/formatting improvements
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2024-02-27 20:55:28 -05:00 |
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4dbfa5483b
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Fix memory leak
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2024-02-27 14:50:20 -07:00 |
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7593f0df22
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Merge branch 'develop' of github.com:lammps/lammps into comm_tiled
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2024-02-27 14:15:58 -07:00 |
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86b7560740
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Init pointers, etc.
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2024-02-27 14:13:27 -07:00 |
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6972758783
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whitespace
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2024-02-27 09:38:22 -07:00 |
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369aae91d3
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Remove unnecessary destroys
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2024-02-27 09:31:53 -07:00 |
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f1ed2f20a1
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Add back in legacy functions needed for mliap
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2024-02-27 09:31:39 -07:00 |
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e1a3ed6602
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modernize and coding style/formatting improvements
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2024-02-27 10:38:39 -05:00 |
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1baa6cc166
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remove dead code from fix bocs
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2024-02-27 10:29:35 -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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53219b299b
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Unused var
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2024-02-26 17:16:28 -07:00 |
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14066e018f
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Fix indexing issue
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2024-02-26 17:15:04 -07:00 |
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07731d8112
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Whitespace
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2024-02-26 16:34:49 -07:00 |
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214ea5209e
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Missed changes
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2024-02-26 16:34:42 -07:00 |
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82762937a8
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Add better Kokkos support for comm_style tiled
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2024-02-26 15:37:22 -07:00 |
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bd9f6993e3
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whitespace
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2024-02-26 17:14:44 -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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e9deaa83d1
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Merge pull request #4088 from sakibmatin/debug
Fix for force calculation and memory bug (atom name definition) in mliap.
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2024-02-26 16:46:36 -05:00 |
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719b7a96f1
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silence compiler warnings
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2024-02-26 16:45:01 -05:00 |
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