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c0b31c4384
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remove unneeded file
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2021-08-26 15:10:10 -06:00 |
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9f46071226
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fix example problems
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2021-08-26 15:09:27 -06:00 |
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9c095e8d76
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new AMOEBA package
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2021-08-25 16:29:22 -06:00 |
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bed13d9c63
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simply example scripts
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2021-08-25 14:09:58 -06:00 |
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b2b807f9b9
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initial version of AMOEBA/HIPPO force field files
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2021-08-25 13:53:31 -06:00 |
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25d9d5dfff
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Merge pull request #2895 from rbberger/python_coverage_fix
Use .coveragerc to configure Python coverage reporting
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2021-08-24 14:07:23 -04:00 |
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8dd2428294
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Merge pull request #2891 from akohlmey/collected-small-changes
Collected small changes and bug fixes
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2021-08-24 13:34:20 -04:00 |
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0bb26ff296
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make fix qeq/reaxff/kk consistent with REAXFF package version
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2021-08-24 12:13:06 -04:00 |
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a26da031aa
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Use .coveragerc to configure Python coverage reporting
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2021-08-24 11:27:30 -04:00 |
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af14e3227d
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skip folders/files in lib with downloaded content
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2021-08-24 10:32:10 -04:00 |
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1c7cc42846
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fix parallel programming bug in interlayer pair styles
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2021-08-24 10:28:57 -04:00 |
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3bce886ab7
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workaround style checker issue
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2021-08-23 22:16:39 -04:00 |
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49c9f4597f
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apply clang-format
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2021-08-23 21:46:54 -04:00 |
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72679f6127
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Merge branch 'master' into collected-small-changes
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2021-08-23 21:44:21 -04:00 |
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c84ebd1c93
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update docs for build options for development
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2021-08-23 21:43:49 -04:00 |
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d72d8fa938
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we require python 3.5 or later
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2021-08-23 21:43:06 -04:00 |
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1ee1471b56
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fix spelling errors
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2021-08-23 21:42:48 -04:00 |
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43261c3a4f
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Merge pull request #2885 from lammps/grid-adjust
Grid adjust
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2021-08-23 21:39:35 -04:00 |
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7b3755bcf4
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remove redundant '// clang-format off' marker
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2021-08-23 21:17:04 -04:00 |
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7fe6e95d3a
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make clang-format processing verbose to show progress
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2021-08-23 21:11:05 -04:00 |
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1bd6e56369
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simplify code using utils::strdup()
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2021-08-23 21:06:56 -04:00 |
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9a19a814e4
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apply clang-format to packages
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2021-08-23 21:06:33 -04:00 |
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686f41731f
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disable applying clang-format to all "style" classes in the KOKKOS package (for now)
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2021-08-23 20:55:41 -04:00 |
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8f71979ba1
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update formatting in src folder with clang-format
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2021-08-23 20:46:09 -04:00 |
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cb19806020
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update ReaxFF reference data due to use of more precise constants in fix qeq/reax
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2021-08-23 20:34:44 -04:00 |
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d44edeb32e
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make clang-format custom targets in CMake similar to the ones in GNU make
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2021-08-23 18:36:44 -04:00 |
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6b6e63f77f
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avoid redundant defines
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2021-08-23 18:36:07 -04:00 |
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fec77e49bd
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add clang-format commands to Makefile
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2021-08-23 18:22:12 -04:00 |
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2cfc629388
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reformat REAXFF headers with clang-format
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2021-08-23 18:21:47 -04:00 |
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86739c46d9
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Merge pull request #2889 from jrgissing/property/atom-group-bugfix
property/atom group bugfix
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2021-08-23 18:20:53 -04:00 |
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6bc8da05b9
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reformat unittest tree with clang-format
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2021-08-23 17:06:30 -04:00 |
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4e715da2f3
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Merge branch 'grid-adjust' of github.com:lammps/lammps into grid-adjust
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2021-08-23 14:57:12 -06:00 |
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d640cd6838
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Merge pull request #2890 from stanmoore1/kk_deform
Fix bug with v remap option in Kokkos fix deform
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2021-08-23 16:41:23 -04:00 |
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0f8b331d8f
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enable check/fix scripts in traditional makefile
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2021-08-22 22:47:55 -04:00 |
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0c7cf3cdaa
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protect against use with Python 2.x, use full absolute directory path internally
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2021-08-22 22:47:09 -04:00 |
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bc91d05857
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fix typo
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2021-08-22 20:46:58 -04:00 |
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92b5b159e5
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replace tabs and remove trailing whitespace in lib folder with updated script
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2021-08-22 20:45:24 -04:00 |
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30821b37e5
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replace tabs
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2021-08-22 20:43:27 -04:00 |
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0c4752b858
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add support to check for tabs as whitespace errors including option to fix
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2021-08-22 20:43:08 -04:00 |
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607e75f984
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remove tabs
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2021-08-22 19:42:55 -04:00 |
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8b2e3ad3ee
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add unit tests for fix addtorque
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2021-08-22 14:27:38 -04:00 |
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bb852f2393
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skip some more aliased styles
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2021-08-22 14:21:31 -04:00 |
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bb5a11b330
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add timestepping unit tests for atom style sphere
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2021-08-22 14:16:50 -04:00 |
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bf618b3128
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support tests for integrators with dipoles and extended particles
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2021-08-22 12:44:02 -04:00 |
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d9538a4745
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skip some aliases when checking for missing force style tests
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2021-08-22 11:55:37 -04:00 |
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db887b4d7a
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add unit test for angle style dipole
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2021-08-22 11:49:29 -04:00 |
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433ece22ec
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add unit test for dihedral style spherical
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2021-08-22 11:28:32 -04:00 |
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9b4317335a
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reorder includes
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2021-08-22 11:28:04 -04:00 |
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9ce9d36ac5
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correct package designations for styles in the EXTRA-MOLECULES package
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2021-08-22 11:27:48 -04:00 |
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403ee3a85f
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apply clang-format
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2021-08-22 11:13:34 -04:00 |
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