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8c742fee3e
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Merge branch 'lammps-master' into bond-react_create_atoms
rebase
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2021-02-04 14:59:26 -05:00 |
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2bc2140ed9
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
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2021-02-04 14:58:52 -05:00 |
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11b2a1e1ac
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reorder package names to be in 2 groups (non-user, user) and each sorted alphabetically
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2021-02-04 14:58:49 -05:00 |
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3e07711739
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simplify using C++11 syntax
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2021-02-04 14:35:39 -05:00 |
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dadea34663
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reformat comment
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2021-02-04 14:35:39 -05:00 |
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5e29cba076
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replace Get_Time() with MPI_Wtime()
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2021-02-04 14:35:39 -05:00 |
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95e2214d96
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more typecasts to double to avoid 32-bit int overflows when computing memory usage
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2021-02-04 14:35:38 -05:00 |
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49ea762300
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Merge pull request #2571 from akohlmey/arg-info-class
Add ArgInfo class for simpler processing of compute, fix, and variable references
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2021-02-04 14:32:34 -05:00 |
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de5ba601f2
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Update fix_bond_react.rst
manual rebase
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2021-02-04 13:41:58 -05:00 |
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96f67ebeaa
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Merge pull request #2582 from ellio167/pair_kim_refactor
Small pair kim refactor to better support multiple run commands with different models
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2021-02-04 13:27:06 -05:00 |
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5256631bee
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test for correctly supporting the use of multiple calls to pair_style kim
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2021-02-04 11:28:38 -06:00 |
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302be3f946
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Fix typo
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2021-02-04 10:09:14 -06:00 |
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8da3bc9144
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Increment instance_me in pair_kim to ensure neighbor correct list updates
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2021-02-04 09:47:29 -06:00 |
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c9cf8b57f4
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Fix behavor of a 2nd call to 'pair_style kim ...' & a bug for parameter changes
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2021-02-04 09:45:08 -06:00 |
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8574a417fb
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Merge pull request #2579 from lammps/fix-ti-spring-doc
Clarify one of the outputs of fix ti/spring
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2021-02-04 05:50:35 -05:00 |
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c6c9c82f96
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ID strings are immutable, so make them const char * arguments
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2021-02-03 21:13:54 -05:00 |
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9f7dc78f86
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convert a few more styles to use ArgInfo
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2021-02-03 21:06:23 -05:00 |
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9fa1688f39
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small corrections for dump custom
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2021-02-03 21:06:04 -05:00 |
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04a46bfd99
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Merge remote-tracking branch 'github/master' into arg-info-class
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2021-02-03 17:43:49 -05:00 |
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4b15ffcf14
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more use of ArgInfo class
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2021-02-03 17:43:39 -05:00 |
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91d913b7ee
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Merge pull request #2576 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2021-02-03 17:08:04 -05:00 |
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1ee27e2bc2
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clarify one of the outputs of fix ti/spring
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2021-02-03 15:01:35 -07:00 |
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a700e506ae
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use utils::strmatch(name,"^x_") instead of (strstr(name,"x_") == name)
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2021-02-03 16:50:19 -05:00 |
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2f7d6672df
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more files with ArgInfo support added
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2021-02-03 16:39:01 -05:00 |
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f745d5d7be
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continue adding ArgInfo support
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2021-02-03 10:52:16 -05:00 |
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4eb143bfee
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fix another border communication issue in KOKKOS version of atom style dpd
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2021-02-02 17:27:29 -05:00 |
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e2e6639013
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add typecast to avoid (unlikely but possible) integer overflows.
this will silence a lot of static code analysis warnings
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2021-02-02 17:27:04 -05:00 |
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5196926c28
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remove meaningless typecast
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2021-02-02 14:36:37 -05:00 |
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1da3ba87f4
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use -mpicolor flag as documented (and not -mpi). closes #2575
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2021-02-02 14:12:46 -05:00 |
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4404469f5c
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run GitHub actions only on merges/pushes to master to save minutes
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2021-02-02 11:38:24 -05:00 |
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85539765d0
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update docs about thermo_modify flush
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2021-02-02 11:37:08 -05:00 |
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c2c8c5e493
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Merge remote-tracking branch 'github/master' into arg-info-class
# Conflicts:
# src/compute_chunk_atom.cpp
# src/compute_chunk_spread_atom.cpp
# src/compute_reduce.cpp
# src/compute_reduce_region.cpp
# src/compute_slice.cpp
# src/fix_ave_atom.cpp
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2021-02-02 11:33:01 -05:00 |
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4d98d9f6aa
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add arginfo to fix saed/vtk
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2021-02-02 11:29:08 -05:00 |
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f2479e7d05
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Merge pull request #2401 from lammps/configure-github-actions
Enable CodeQL static analysis and integration and unit tests on MacOS via GitHub actions
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2021-02-02 10:27:25 -05:00 |
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bfe64629fd
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switch to do CodeQL analysis and Unittest on MacOS. currently for PRs and master
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2021-02-01 20:32:24 -05:00 |
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6d836d8f30
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run documentation actions in parallel
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2021-02-01 20:32:24 -05:00 |
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a83fe46860
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spelling target needs conf.py
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2021-02-01 20:32:19 -05:00 |
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88e182da64
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speed up compilation for static code analysis by switching to debug build type and turning off optimization
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2021-02-01 20:31:37 -05:00 |
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b15555724d
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combine analysis and simplify
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2021-02-01 20:31:37 -05:00 |
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0be1a419c7
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split codeql workflow into two files as no compilation is needed for python
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2021-02-01 20:31:37 -05:00 |
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60a11b9ea1
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do parallel compilation
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2021-02-01 20:31:36 -05:00 |
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c11bd658fc
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Add documentation and style check workflow
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2021-02-01 20:31:36 -05:00 |
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9ca0653c3e
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add CodeQL static code analysis workflow
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2021-02-01 20:31:36 -05:00 |
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1a7cb4647f
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Merge pull request #2569 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2021-02-01 20:18:48 -05:00 |
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2ee701f719
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also flush screen stdio buffer with thermo_modify flush yes
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2021-02-01 18:43:42 -05:00 |
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2b44d67128
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consistent dependencies for targes in "doc" folder makefile
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2021-02-01 18:13:00 -05:00 |
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179fbe6172
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Merge pull request #2572 from akohlmey/consistent-invoked
Move definition of INVOKED_* constants as enumerator to compute.h
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2021-02-01 17:52:57 -05:00 |
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9a419154fa
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whitespace
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2021-02-01 10:15:06 -05:00 |
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5c3b88d938
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whitespace
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2021-02-01 10:14:31 -05:00 |
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0e9c44d155
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IDs are immutable strings
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2021-02-01 10:12:13 -05:00 |
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