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f05a53cb9a
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whitespace (again)
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2020-11-25 16:51:43 -05:00 |
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82703e5bac
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update fmtlib to version 7.1.3
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2020-11-25 16:51:43 -05:00 |
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2868f37304
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update keyword summary
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2020-11-25 16:51:43 -05:00 |
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b9f5de3ca0
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update URLs in README file
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2020-11-25 16:51:43 -05:00 |
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f0e4f9932f
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whitespace fixes
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2020-11-25 16:51:43 -05:00 |
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7f6638b681
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more unittest docs
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2020-11-25 16:51:43 -05:00 |
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583d3823d8
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address spelling issues
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2020-11-25 16:51:42 -05:00 |
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a8275e0e51
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fix issues with compute stress/atom docs
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2020-11-25 16:51:42 -05:00 |
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2b6c995e12
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more unittest docs
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2020-11-25 16:51:42 -05:00 |
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bbe50ab5c1
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more documentation for adding unittest
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2020-11-25 16:51:42 -05:00 |
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2a8cc331e7
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add test for "newton" command to match the c-library interface tests
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2020-11-25 16:51:42 -05:00 |
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27144ce0dd
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more details about mass and time units when using reduced units
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2020-11-25 16:51:42 -05:00 |
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569a000e6b
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reformat unittest sources with clang-format
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2020-11-25 16:51:41 -05:00 |
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a8b60848c3
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small updates.
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2020-11-25 16:51:41 -05:00 |
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36ae363b8b
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Start section in the programmer guide describing how to add unit tests
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2020-11-25 16:51:41 -05:00 |
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9d7319dd2b
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whitespace fixes
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2020-11-25 16:51:41 -05:00 |
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800fb167f4
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fix small render issue
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2020-11-25 16:51:41 -05:00 |
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849e5ffee2
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add option to extract newton_bond/newton_pair settings
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2020-11-25 16:51:37 -05:00 |
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f2dca6d08e
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complete integration into document build and add a few format fixes
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2020-11-25 16:12:27 -05:00 |
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5e75b8d58c
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Merge branch 'master' into jstewa-snl/master
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2020-11-25 16:04:38 -05:00 |
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6932426973
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update src/USER-MISC/README
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2020-11-25 15:59:08 -05:00 |
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4bf7ba5016
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address documentation link, spelling, and characterset issues
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2020-11-25 15:57:18 -05:00 |
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abdfcceab2
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Merge branch 'master' into bond_gaussian
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2020-11-25 15:50:54 -05:00 |
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6b9cbd91bc
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Merge pull request #2485 from stanmoore1/kk_reax_tweaks
Kokkos ReaxFF tweaks
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2020-11-25 15:13:20 -05:00 |
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ec662a41de
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Merge branch 'master' of github.com:lammps/lammps into kk_reax_tweaks
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2020-11-25 10:38:07 -07:00 |
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79be140633
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move doc file to correct dir
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2020-11-25 08:12:57 -07:00 |
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c497cf1a6d
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Merge branch 'master' into python_interface_coverage
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2020-11-25 09:45:51 -05:00 |
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c247a4f709
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More adjustments
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2020-11-24 21:06:27 -06:00 |
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8faee10da5
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Hack to work with preinstalled kim-api-2.1.3
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2020-11-24 20:37:17 -06:00 |
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23f9a76469
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Merge branch 'master' into kim-api-2.2
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2020-11-24 14:59:32 -05:00 |
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7cb644b425
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Merge pull request #2491 from rbberger/evflag_corrections
Collected small changes and fixes
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2020-11-24 14:46:00 -05:00 |
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109cee1ce1
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Doc string update for Pair::ev_setup()
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2020-11-24 14:24:53 -05:00 |
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c7d8e93f5a
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Add missing init of virial
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2020-11-24 13:55:10 -05:00 |
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af0df870f4
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Fix bug introduced by uninitialized moloffset
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2020-11-24 13:55:10 -05:00 |
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1769f1d3a1
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separate cut planes by neigh skin for balance shift
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2020-11-24 09:06:15 -07:00 |
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c3e012c70c
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KIM.cmake changes to support 2.1.3 kim-api too
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2020-11-23 16:53:25 -06:00 |
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0f3b0eabd3
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Adjust KIM.cmake to continue to work with kim-api < 2.2.0
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2020-11-23 16:42:58 -06:00 |
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7aa45ea816
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Add numpy variants of extract_variable tests
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2020-11-23 14:14:29 -05:00 |
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d59aba43e7
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Merge pull request #2469 from yafshar/kim
Fix a bug in pair_kim
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2020-11-23 14:11:50 -05:00 |
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ebf3c180c2
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Add unit test for extract_global (LAMMPS_DOUBLE)
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2020-11-23 13:43:15 -05:00 |
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2ce10cc435
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Add unit test for get_thermo
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2020-11-23 13:35:17 -05:00 |
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3ddc1e680c
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Add unit test for extract_variable (atomstyle)
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2020-11-23 13:14:15 -05:00 |
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5ff0c3d4f0
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Add unit test for extract_variable (equalstyle)
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2020-11-23 13:07:00 -05:00 |
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875057538f
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Fix docstring of extract_variable
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2020-11-23 12:45:37 -05:00 |
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49a1683dda
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Merge branch 'master' into python_interface_coverage
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2020-11-23 11:47:23 -05:00 |
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1a2911c883
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Merge pull request #2420 from rbberger/mpi_tests
Add MPI-enabled unit tests (C/C++ only)
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2020-11-23 10:35:55 -05:00 |
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b8d821e1f9
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Merge pull request #2481 from lammps/energy_virial_constants
Introduce enums for energy and virial flags
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2020-11-23 10:35:20 -05:00 |
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519fbcbc01
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Correct the KIM objects names to be consistent, and fix their white spaces
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2020-11-23 08:44:36 -06:00 |
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15ee87fc12
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Set the identity of the Log object
Set the identity of the Log object associated with different KIM
objects.
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2020-11-23 08:44:35 -06:00 |
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883c665168
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Add the missing headers
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2020-11-23 08:44:35 -06:00 |
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