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b15a813a59
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Avoid manual new / delete[] in AtomVec::Method
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2021-04-15 18:46:59 -04:00 |
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7300e5c4bd
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Use C++ for AtomVec::Method
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2021-04-15 18:33:21 -04:00 |
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618b08dcfc
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 14:58:13 -04:00 |
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0183e999c9
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consistently return "memory_usage" as double.
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2020-09-15 01:59:58 -04:00 |
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9d0c3bc665
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replace some numeric constants in Atom and AtomVec classes with enumerators
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2020-09-11 19:07:55 -04:00 |
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955bff7c4e
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add body support, change bonus buf to 1d so can be variable length
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2020-07-07 11:34:30 -06:00 |
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7918919d30
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enable write_data for atom styles with bonus data
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2020-07-06 17:30:45 -06:00 |
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516a31796e
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need to move destruction of base per-atom properties back to atom.cpp so we don't leak memory in read_restart and don't crash with replicate
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2020-06-22 23:12:11 -04:00 |
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198258766d
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ensure that per-arrays are only freed if the last atom style instance is deleted
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2020-06-22 18:59:09 -04:00 |
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6274234376
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have a single union ubuf definition in lmptype.h and remove others
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2020-06-11 18:37:31 -04:00 |
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807130c771
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Replace AtomVec::tokenize and use Tokenizer
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2020-05-20 15:50:10 -04:00 |
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822c7c5ca1
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elimitate nthreads member, change threads from int to bool and determine number of threads dynamically
this fixes #2081
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2020-05-11 10:57:27 -04:00 |
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7d9091cacc
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Add back in old hybrid functions, needed by Kokkos package
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2020-05-06 15:49:44 -06:00 |
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6659946de1
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fix more warnins and 64-bit issues
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2020-05-01 08:50:07 -04:00 |
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adc04f87f6
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whitespace fixes
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2020-05-01 08:24:24 -04:00 |
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907ffae7b4
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add return 0 to atom_vec
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2020-04-30 21:32:59 -06:00 |
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dda5cb0967
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typo in atom_vec.h
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2020-04-30 12:02:49 -06:00 |
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ecd3652f61
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update to current master
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2020-04-30 11:57:17 -06:00 |
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34778c4919
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Restore virtual keyword for Kokkos package
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2020-01-29 14:10:42 -07:00 |
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90ff2eb6c9
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modified versions of creating atoms on subset of lattice, ditto for set type/fraction
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2020-01-21 13:31:47 -07:00 |
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b6374bacfb
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enable replicate to work with local ptrs
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2019-12-18 08:56:03 -07:00 |
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db6d272303
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more additions to USER atom styles and bug fixes
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2019-12-13 13:54:12 -07:00 |
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ccca80a6a5
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changes to enable atom_style hybrid to work
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2019-12-02 15:39:54 -07:00 |
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4f6cb13592
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added atom styles with bonus data, also a few USER packages
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2019-11-27 16:03:50 -07:00 |
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6c18e366d7
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changes to start to make atom style hybrid work
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2019-11-26 18:34:51 -07:00 |
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3736af0aaf
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initial refactoring on AtomVec class
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2019-11-26 13:42:32 -07:00 |
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11a3fd6ce4
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Merge pull request #1556 from lammps/bug-maxexchange
more robust version of atom exchange size
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2019-07-30 17:09:18 -04:00 |
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2fd327d057
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more robust version of atom exchange size
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2019-07-09 16:17:54 -06:00 |
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48220b39b5
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include <cstdio> explicitly in .cpp files, though
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2019-06-27 11:48:34 -04:00 |
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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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d2da49cdf9
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modifications to correctly print modified dihedrals, impropers
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2018-01-22 23:56:11 -07:00 |
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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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04e401ae4b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-31 16:20:32 +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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84a5ec39ec
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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4c2103f695
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-18 21:54:52 +00:00 |
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7518fae9bc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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47b6b3bb41
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12073 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-04 22:12:23 +00:00 |
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1f667449d1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12069 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-04 20:52:04 +00:00 |
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59971d1616
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11938 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-07 16:25:27 +00:00 |
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4c9bba90f1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-07 16:15:31 +00:00 |
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148140df27
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-02-12 00:33:16 +00:00 |
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0ce16af78b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-25 22:46:08 +00:00 |
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bad19033d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-17 18:43:09 +00:00 |
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a1ef01fc1a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-14 16:17:20 +00:00 |
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02cd6e118b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11125 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-12-18 13:28:46 +00:00 |
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16e11bfd6e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11028 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-20 17:32:53 +00:00 |
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5ec8a7c930
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11026 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-20 15:36:26 +00:00 |
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609226f8d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9743 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-04-03 17:59:23 +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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