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25dfb03386
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apply clang-format
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2024-10-06 00:25:53 -04:00 |
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0de8192a9b
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add kokkosable variable
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2024-06-27 22:31:59 -06:00 |
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feb1b9e029
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fix whitespace
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2023-03-16 12:55:30 -04:00 |
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a8c27a2275
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clarify symmatoms convention
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2023-03-15 23:55:13 -04:00 |
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53056f47ed
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encode improper symmetries
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2023-03-09 22:04:08 -05:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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1b552de1cd
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make default settings() functions for bonded interactions error out with arguments
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2022-05-14 17:55:56 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -04:00 |
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d55e7f9e51
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Merge branch 'develop' into region-lookup-refactor
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2022-04-23 07:14:28 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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ba89ad546a
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Tried to make the fusion with Aidan Thomps modification of compute_born + several headers issues (essentially adding override flag to virtual methods)
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2022-02-07 00:12:27 +01:00 |
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3ff1902b57
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Renamed born method born_matrix in all classes. Changed compute_born to compute_born_matrix. Changed the compute coding to suit the LAMMPS style rules better.
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2022-01-21 18:39:16 +01:00 |
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f420bce07e
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First commit of the Elastic constant computation compute modification
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2022-01-20 09:52:24 +01:00 |
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b8d4030983
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Update more core class destructors
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2022-01-19 13:27:08 -05:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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7f034b2ef7
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replace replicated Dihedral/Improper problem warning with function in base class
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2021-05-05 16:54:40 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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761527e563
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clarified Voigt ordering and non-Voigt ordering for virial[6]
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2021-02-10 09:55:28 -07:00 |
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0876684780
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energy/virial flags with CENTROID enum
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2020-11-18 12:17:14 -07:00 |
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25b6de2001
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update improper.h and improper.cpp to compute per-atom centroid virial according to vflag=8
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2019-10-04 18:33:26 +09:00 |
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9477df4244
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Merge branch 'master' into improve-include-consistency
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2019-07-26 17:24:32 -04:00 |
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b1a5444815
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add (empty) read/write_restart_settings() functions to bond/angle/dihedral/improper base classes
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2019-07-25 07:32:15 -04:00 |
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333bec0222
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headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
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2019-06-27 10:12:53 -04:00 |
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84e156d380
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first batch of changes suggested by using include-what-you-use tool
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2019-06-27 09:14:36 -04:00 |
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b2a7205abe
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re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
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2019-03-25 11:31:23 -04:00 |
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c7af948dfc
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use ev_init for impropers
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2019-03-13 17:50:50 +01:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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683023d820
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Adding alloc flag to ev_setup
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2017-03-08 12:36:23 -07:00 |
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e261bef7bb
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Spelling fixes in source files
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2017-03-05 18:30:39 -05:00 |
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c46be7db62
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changes to imbalance weight factors
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2016-10-05 10:33:39 -06:00 |
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d55f968432
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-17 23:48:15 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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c3e7b8587a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13257 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-18 23:34:41 +00:00 |
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71f5c17f67
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-27 16:25:02 +00:00 |
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da77d5e62a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9737 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-04-03 16:52:29 +00:00 |
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dba019f3e4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-28 14:21:55 +00:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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61c4fa6ee0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-05 15:31:20 +00:00 |
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891740f4a2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-16 01:37:13 +00:00 |
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c6bbdcfbf2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-24 20:28:02 +00:00 |
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f90ce18f3d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-20 00:11:49 +00:00 |
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460379ce20
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-17 18:25:24 +00:00 |
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2c643b7dc5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-01-12 01:37:48 +00:00 |
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8fb52958ce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-11-30 21:54:30 +00:00 |
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aef3f32236
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-10-04 17:57:04 +00:00 |
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209f169cbc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-01-30 00:22:05 +00:00 |
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222c95507e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-09-27 19:51:33 +00:00 |
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