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feebdf9149
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print complete read_data and special output to both screen and logfile
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2020-07-22 07:23:33 -04:00 |
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38d9c0bedf
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tweak output formatting
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2020-07-11 21:44:31 -04:00 |
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eafcc06670
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secs -> seconds
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2020-06-30 13:56:35 -04:00 |
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d4c7455197
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reduce output precision
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2020-06-30 13:49:50 -04:00 |
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c4855d95e7
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more use of utils::logmesg() and {fmt}
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2020-06-26 07:23:22 -04:00 |
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b5b71bbb92
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(re-)add example uses of {fmt}
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2020-05-26 15:16:35 -04:00 |
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2b9a1a6982
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Fix Kokkos runtime issue with special bonds
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2020-05-07 10:35:08 -06:00 |
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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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b4f60ef477
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starting to work on includes in USER-OMP
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2019-07-11 22:12:01 -04:00 |
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ce6fa0118a
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continuing to clean up include file lists
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2019-07-04 08:39:17 -04:00 |
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256531a29a
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put implementation header first for all remaining main folder source files
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2019-07-03 19:34:13 -04:00 |
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88d160f86e
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avoid segfault in Special::angle_trim() if only angles or only dihedrals are defined
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2019-04-04 09:13:18 -04:00 |
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40f1662c93
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reduce compiler warnings
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2019-04-02 23:44:00 -04:00 |
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ff7f129a5d
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remove trailing whitespace
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2019-03-29 11:37:26 -04:00 |
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088a672196
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replace (evil) tabs with (nice) spaces
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2019-03-28 16:20:57 -04:00 |
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8ba1d76055
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some dead code removal and more whitespace cleanup
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2019-03-27 05:38:41 -04:00 |
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efad31f474
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bug fixes to added rendezvous algorithms
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2019-03-26 10:09:16 -06:00 |
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fff28a8666
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remove trailing whitespace
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2019-03-26 11:17:21 -04:00 |
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1ca0c78a2e
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turn off diagnostic output for rendezvous op
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2019-03-26 11:01:39 -04:00 |
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62045a9c52
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cleanup up rendezvous diagnostic output
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2019-03-26 11:01:38 -04:00 |
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bbe6c9bb63
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added diagnostic info for memory and balance info
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2019-03-26 11:01:38 -04:00 |
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fc002e30d3
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added rendezvous via all2all
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2019-03-26 11:01:38 -04:00 |
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b370a61b60
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added rendezvous alg to fix shake
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2019-03-26 11:01:38 -04:00 |
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17817fc290
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less comm version of special bonds rendezvous
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2019-03-26 11:01:38 -04:00 |
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3f9d59294e
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replace STL map with atom->map in special, better code comments
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2019-03-26 11:01:37 -04:00 |
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9912c44413
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rendevous comm option for special bonds and fix rigid/small
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2019-03-26 11:01:33 -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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15a3364c2c
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Make memory_kokkos its own class
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2017-12-01 09:13:31 -07:00 |
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ce62c41252
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when recomputing special bonds, make certain we do not shrink atom->maxspecial and add force->special_extra only once
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2017-08-10 06:47:26 -04:00 |
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fcc387f232
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change ring communication API to no longer require a static variable pointing to 'this' of the caller
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2017-06-14 17:01:06 -04:00 |
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44841f6891
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fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
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2017-03-23 15:31:27 -06:00 |
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b3d2fb91bb
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new fix wall/gran/region command, REBO bug fix, new example log files
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2016-10-06 15:47:41 -06:00 |
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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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e91bd244af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-24 15:50:34 +00:00 |
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6106843d57
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-15 16:51:23 +00:00 |
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507adef078
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13316 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-27 19:56:16 +00:00 |
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c56fbcd1a3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13315 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-27 19:55:56 +00:00 |
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d744af1de7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 15:36:07 +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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4e87fa9fd2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12963 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-20 18:55:01 +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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83534f0802
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10993 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-07 20:30:02 +00:00 |
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6eff712573
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10886 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-10-30 14:10:10 +00:00 |
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3428df4c4b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 19:36:17 +00:00 |
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bb9a46af64
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9533 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-19 15:06:33 +00:00 |
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c6ca9de398
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-13 23:02:39 +00:00 |
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fa24d1db95
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9473 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-13 18:20:52 +00:00 |
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0b0bf77f04
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9447 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-11 20:34:02 +00:00 |
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2cc946fdb5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9275 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-17 15:48:04 +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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