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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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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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f05a551ffe
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Update compute_stress_mop.cpp
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2024-05-13 21:32:17 +02:00 |
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ada53dc879
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Merge pull request #4161 from lammps/doc-write-data
Incomplete info on write_data command syntax
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2024-05-13 13:26:15 -06:00 |
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47c86cdf65
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Update compute_stress_mop.rst
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2024-05-13 21:26:01 +02:00 |
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86103fa89b
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revert changes for triclinic boxes in compute_stress_mop.cpp
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2024-05-13 21:23:50 +02:00 |
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ed507dc676
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revert changes in compute_stress_mop.h
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2024-05-13 21:20:32 +02:00 |
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4330530237
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Merge pull request #4068 from dhairyaiitb/develop
Coefficient of restitution based damping in granular models
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2024-05-13 12:43:19 -06:00 |
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0a389bf673
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Merge branch 'develop' of github.com:lammps/lammps into patch-1
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2024-05-13 12:24:02 -06:00 |
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74f29ba2f3
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update example
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2024-05-13 14:07:24 -04:00 |
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4e7bddaa0b
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remove unused variables
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2024-05-13 13:55:09 -04:00 |
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af540bec8b
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Merge pull request #4142 from jrgissing/count/types-return_integer_for_lj_units
flag output for compute count/type as intensive vs extensive
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2024-05-13 11:48:35 -06:00 |
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d0f8d9eeb1
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Merge branch 'develop' into dhairyaiitb/develop
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2024-05-13 13:47:21 -04:00 |
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67b6c36941
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Merge pull request #4150 from Bibobu/cg_stuck_bug
Avoiding forcezero infinite loop with zero energy.
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2024-05-13 11:46:16 -06:00 |
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d4d4c48574
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spelling fixes
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2024-05-13 13:43:50 -04:00 |
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84f06aa7a8
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Merge branch 'develop' into doc-write-data
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2024-05-13 13:38:21 -04:00 |
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f747bb975f
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Merge pull request #3824 from jrgissing/fix_reaxff/species-fixes
Fix reaxff/species fixes
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2024-05-13 11:25:40 -06:00 |
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00d8c6623d
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Merge pull request #3810 from jrgissing/create_atoms-overlap_w_mol
Create atoms: overlap keyword for atomic molecule
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2024-05-13 11:08:34 -06:00 |
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fd1aa7356d
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Merge pull request #3118 from jrgissing/replicate_periodic_box
Replicate periodic box
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2024-05-13 11:06:47 -06:00 |
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cd82af6885
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Merge pull request #4148 from jtclemm/small-patches
Small patches for various commands
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2024-05-13 11:01:11 -06:00 |
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20a2df0b41
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Merge pull request #4152 from nnn911/modify_triclinic
Fix Inconsistent syntax for dump_modify triclinic/general
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2024-05-13 11:00:52 -06:00 |
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eb0640fbb5
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Merge pull request #4146 from akohlmey/collected-small-changes
Collected small changes
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2024-05-13 11:00:18 -06:00 |
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b65e41e509
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Update version to development
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2024-05-13 10:45:34 -06:00 |
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74b3d15c3b
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improve fix_modify error messages
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2024-05-10 08:21:56 -04:00 |
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46b4c09083
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simplify xmol comm
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2024-05-10 00:15:21 -04:00 |
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ac0513b5c4
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whitespace in compute_stress_mop.rst
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2024-05-09 15:25:57 +02:00 |
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9aefa047cb
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Update compute_stress_mop.rst
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2024-05-09 15:17:30 +02:00 |
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e2984c9724
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Delete pos1 variable from compute_stress_mop.h
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2024-05-09 15:13:26 +02:00 |
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7b007d82a0
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Make compute stress/mop compatible with triclinic boxes
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2024-05-09 15:12:28 +02:00 |
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a2616630b5
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update OpenCL ICD loader source to latest release
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2024-05-09 07:18:50 -04:00 |
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b4f18700dc
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Update fix_reaxff_species.h
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2024-05-09 00:06:10 -04:00 |
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8e6a232dff
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Update fix_reaxff_species.rst
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2024-05-08 23:31:36 -04:00 |
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ada61d96fe
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Update fix_reaxff_species.rst
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2024-05-08 19:46:07 -04:00 |
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05438d2357
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Update create_atoms.rst
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2024-05-08 18:50:02 -04:00 |
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887ffa57d5
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Merge branch 'develop' into create_atoms-overlap_w_mol
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2024-05-08 18:44:23 -04:00 |
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33525de598
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fix incomplete header info on command syntax
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2024-05-08 16:39:25 -06:00 |
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