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1a83fefc70
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add false positive
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2024-05-29 08:38:54 -04:00 |
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1697f2a465
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Merge branch 'develop' into remove-i-pi
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2024-05-29 08:36:01 -04:00 |
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1cf1f0daab
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update false positives
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2024-05-28 20:04:12 -04:00 |
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e6a3462018
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replace non-ASCII character
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2024-05-28 19:59:42 -04:00 |
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2d7515218c
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improve wording
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2024-05-28 19:55:59 -04:00 |
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e8ee0d9e71
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Merge pull request #4171 from akohlmey/sort-vector
Add special variable functions sort() and rsort() for sorting vectors by value
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2024-05-28 16:22:08 -06:00 |
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05ba777c0a
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Merge branch 'develop' into remove-i-pi
# Conflicts:
# doc/src/fix_ipi.rst
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2024-05-28 18:03:03 -04:00 |
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dedcfa157c
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Merge pull request #4157 from lab-cosmo/bugfix/ipi-neigh
Performance improvements for fix_ipi
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2024-05-28 15:06:15 -06:00 |
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33351704a5
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Invisible mais penible
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2024-05-28 08:40:19 +02:00 |
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2afbf229ff
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mention the i-PI removal
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2024-05-27 19:00:38 -04:00 |
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8f4cf55ada
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update docs for i-PI removal
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2024-05-27 18:58:18 -04:00 |
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475cddfa36
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remore i-PI distribution from tools folder
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2024-05-27 18:49:40 -04:00 |
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aa8cd7a4b9
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Updated the documentation for i-PI
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2024-05-28 00:07:07 +02:00 |
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3bc367e0b0
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implement suggestions made by @rbberger
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2024-05-25 05:00:08 -04:00 |
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dad0d2651b
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Merge pull request #4172 from stanmoore1/deallocate_topo
Fix issue with virtual inheritance in Kokkos deallocate_topo function
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2024-05-23 15:56:51 -06:00 |
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29e64748c0
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Fix issue with virtual inheritance in Kokkos deallocate_topo function
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2024-05-23 12:18:18 -06:00 |
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f8d5a898bf
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Merge pull request #4166 from jrgissing/minor-doc-updates
Minor doc updates
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2024-05-23 12:17:00 -06:00 |
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371ec2036f
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support trailing brackets for sort() and rsort()
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2024-05-23 01:24:41 -04:00 |
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e18395cf6e
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add versionadded marker
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2024-05-23 00:16:47 -04:00 |
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4b81337b6a
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add documentation for new special variable functions
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2024-05-23 00:09:54 -04:00 |
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c95389d58c
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add unit tests for sort() and rsort() special function
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2024-05-22 23:57:13 -04:00 |
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272ce64272
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add special function for sorting vectors
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2024-05-22 23:46:36 -04:00 |
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5ffff255ea
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simplify with STL classes
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2024-05-22 23:46:13 -04:00 |
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c1538c2f78
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move varstyle array definition to Variable class so it can be used in a more general way
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2024-05-22 23:42:56 -04:00 |
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8f61bc57d2
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move xhold checks caller-side
this also allows it to fall-back on do-nothing rather than crash
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2024-05-22 10:02:52 +02:00 |
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a8687b5372
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Merge pull request #4164 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-05-20 14:46:30 -06:00 |
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30704d095d
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support that cmdargs is used multiple times and may be bytearrays directly
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2024-05-20 16:00:19 -04:00 |
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658dcef145
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fix bug with newton_bond off
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2024-05-20 06:21:23 -04:00 |
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0577e1ff77
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install runtime dlls for LAMMPS library only with -DBUILD_SHARED_LIBS=yes
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2024-05-20 06:08:43 -04:00 |
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669819405b
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Merge branch 'develop' into collected-small-changes
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2024-05-20 02:55:52 -04:00 |
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77239a75dc
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Merge pull request #4162 from stanmoore1/kk_update_4.3.1
Update Kokkos library in LAMMPS to v4.3.1
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2024-05-18 09:11:50 -06:00 |
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51f009c273
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incorrect pair-coul package listings
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2024-05-16 15:21:45 -04:00 |
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f2d236eca1
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improper styles moved to EXTRA-MOLECULE
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2024-05-16 15:08:02 -04:00 |
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9c5d9686f5
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deform/pressure is in EXTRA-FIX
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2024-05-16 15:03:03 -04:00 |
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febf7c38d3
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add reaxff/species delete citation
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2024-05-16 14:49:33 -04:00 |
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410cda27e0
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keyword was changed at some point
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2024-05-16 14:38:04 -04:00 |
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6aec49619f
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remove redundant initializers from headers
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2024-05-16 09:42:00 -04:00 |
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c99e582658
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Need to manually enable rocthrust in Makefile build
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2024-05-15 16:33:49 -07:00 |
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852becb32a
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Update Makefile comment
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2024-05-15 14:44:50 -06:00 |
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3805a01448
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Update CMake
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2024-05-15 14:42:01 -06:00 |
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8fbb959ab3
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Add support for MI300A with unified memory
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2024-05-15 14:40:41 -06:00 |
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a495aff480
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Update Kokkos library in LAMMPS to v4.3.1
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2024-05-15 14:14:08 -06:00 |
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16b2ed5cc9
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initialize pointers to null in constructor
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2024-05-15 13:49:54 -04:00 |
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69b8a8c7b3
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remove dead code
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2024-05-15 13:49:07 -04:00 |
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008a8fcb11
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Merge pull request #4159 from evoyiatzis/patch-1
Make compute stress/mop and stress/mop/profile compatible with 2D systems
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2024-05-14 13:05:41 -06:00 |
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83a4ff06bd
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fix segfault
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2024-05-14 08:14:38 -04:00 |
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c8821606fb
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Merge branch 'develop' into patch-1
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2024-05-14 07:25:34 -04:00 |
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b5ecea502a
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Changed folding logic to use minimum_image rather than pbc
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2024-05-14 08:51:40 +02:00 |
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2dc5931829
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Fix whitespace
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2024-05-13 22:34:21 +02:00 |
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bc38b55941
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Removed iostream import
Leftover from debugging output
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2024-05-13 22:33:48 +02:00 |
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