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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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ce71e45db0
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plug memory leak
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2021-08-22 11:11:32 -04:00 |
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eeff288541
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tweak settings to pass OpenCL GPU tests in mixed precision
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2021-08-22 10:50:28 -04:00 |
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dd670bab66
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update dipole data file with randomized dipole orientations
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2021-08-21 20:50:16 -04:00 |
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46e4e1b60e
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add kspace tests with dipoles
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2021-08-21 20:45:25 -04:00 |
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1b72cf01a9
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add unit test inputs for pair styles with point dipoles
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2021-08-21 20:31:18 -04:00 |
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384330aff2
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update/correct extract function
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2021-08-21 20:31:02 -04:00 |
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1c7bf82930
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initialize scale array
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2021-08-21 20:30:38 -04:00 |
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4032c6da98
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fix restart bug
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2021-08-21 20:30:15 -04:00 |
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09b0809d75
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add template files for testing dipolar pair styles and kspace styles
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2021-08-21 19:18:21 -04:00 |
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3083e6f4cb
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make ewald/disp/dipole an alias for ewald/disp for more obvious choices for users
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2021-08-21 15:56:46 -04:00 |
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2afa00ae66
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pretty
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2021-08-21 15:18:54 -04:00 |
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ad5cc694dc
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correctly check for and enable/disable dipole and dispersion support
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2021-08-21 15:18:44 -04:00 |
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1a81a94dfb
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fix up whitespace issues (remove tabs, trailing whitespace)
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2021-08-20 15:00:19 -04:00 |
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1eb506002b
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Merge pull request #2888 from lammps/sticker-bonds
Sticker bonds
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2021-08-20 14:28:57 -04:00 |
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fcc6cc628e
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fix whitespace
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2021-08-20 13:47:24 -04:00 |
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3404920e98
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Merge pull request #2342 from lammps/fix-property-array
Enable fix property/atom to create custom arrays
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2021-08-19 17:33:55 -04:00 |
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537f0eed8e
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Merge pull request #2886 from akohlmey/pair-coul-exclude
Add a pair style coul/exclude for removing excluded coulomb interactions
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2021-08-19 17:25:57 -04:00 |
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f7c8b0c88b
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address spellcheck issues
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2021-08-19 17:00:46 -04:00 |
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bc6e805c99
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fix doc formatting issues
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2021-08-19 16:53:03 -04:00 |
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e1c1c663c4
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correction to doc page
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2021-08-19 14:21:15 -06:00 |
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845cebaab1
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Add comment
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2021-08-19 14:02:57 -06:00 |
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eebbbe9f73
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support a second usage model with fix bond/swap
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2021-08-19 14:01:06 -06:00 |
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7d0c052425
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Fix deallocation with Kokkos
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2021-08-19 14:00:37 -06:00 |
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9470a0eeb6
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clarified doc pages for fix property/atom and read_data
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2021-08-19 11:34:25 -06:00 |
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8aeaa82909
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improve error message
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2021-08-19 11:08:04 -04:00 |
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1c67561be8
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Merge branch 'fix-property-array' of github.com:lammps/lammps into fix-property-array
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2021-08-19 09:00:51 -06:00 |
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7046b75861
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remove evil tabs
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2021-08-19 10:06:34 -04:00 |
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11b4ae641f
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add unit test for pair style coul/exclude
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2021-08-19 05:46:12 -04:00 |
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23231118d1
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add a couple explanatory comments
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2021-08-19 05:29:54 -04:00 |
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093fbfd4b5
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add documentation for pair style coul/exclude
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2021-08-19 05:25:36 -04:00 |
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8b680d43e5
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add pair style coul/exclude for use with kspace style scafacos
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2021-08-19 05:00:52 -04:00 |
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7d0cdea282
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allow using kspace_style scafacos for molecular systems under certain conditions
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2021-08-19 05:00:11 -04:00 |
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4ce71fd767
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pretty
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2021-08-19 04:23:44 -04:00 |
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89de4eb7c4
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make sure that coul/exclude special neighbors are always flagged
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2021-08-19 04:23:26 -04:00 |
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