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4042a52db1
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rename header keyword to colname
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2022-03-31 21:58:35 -04:00 |
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4437f16e08
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remove references to non-existing folders
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2022-03-31 17:49:24 -04:00 |
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335b78b4f2
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Add contributing author to list
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2022-03-31 15:27:05 -06:00 |
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e3611c5d73
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add support for custom keywords with thermo output
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2022-03-31 17:26:46 -04:00 |
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7ec3017b85
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recreate data files for water examples
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2022-03-31 15:17:08 -06:00 |
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19a6eecfbb
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more debugging for plugin engine mode
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2022-03-31 14:41:38 -06:00 |
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4dc4d74056
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Add back in accidentally deleted call
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2022-03-31 13:10:22 -06:00 |
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ad4701f4f7
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Small tweaks
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2022-03-31 12:52:36 -06:00 |
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72874376f0
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Remove #ifdef
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2022-03-31 12:27:43 -06:00 |
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79fcf18013
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Remove #ifdef
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2022-03-31 12:25:58 -06:00 |
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229f0af537
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enable LAMMPS as driver to use plugin engine
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2022-03-31 12:09:05 -06:00 |
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df05bbb72b
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moved dpd_tstat to kokkos
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2022-03-31 17:20:56 +02:00 |
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28976b8c92
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recover compilation on windows with old MPICH version
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2022-03-31 08:44:43 -04:00 |
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12ddc4ad12
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final set of XXXINT_FORMAT changes
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2022-03-31 07:51:14 -04:00 |
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52b563a83e
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modernize parsing in fix tmd, add support for comments and empty lines
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2022-03-31 07:36:50 -04:00 |
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33b6466611
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add minimal fix tmd example
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2022-03-31 07:31:43 -04:00 |
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b97c30e6e7
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more refactoring, modernizing, removing of debug code
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2022-03-31 06:24:44 -04:00 |
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acd9c7950e
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update doc and example
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2022-03-31 12:25:10 +08:00 |
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b64e90dfe0
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simplify. avoid XXXINT_FORMAT macros
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2022-03-30 23:43:28 -04:00 |
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1c9dc9c0d9
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correct formatting
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2022-03-30 22:11:46 -04:00 |
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d104070066
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add option for dynamics to in.ubiquitin
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2022-03-30 17:15:18 -06:00 |
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65a083c83d
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add support for </>VELOCITIES command at nodes
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2022-03-30 15:52:55 -06:00 |
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993441b25a
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avoid XXXINT_FORMAT macros in fix reaxff/bonds
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2022-03-30 17:52:21 -04:00 |
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852c5f13ff
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more debugging
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2022-03-30 15:35:57 -06:00 |
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c7a9a3e2f6
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simplify and replace use of XXXINT_FORMAT macros
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2022-03-30 16:13:38 -04:00 |
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d28b9818bb
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working changes to fix bitorsion
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2022-03-30 13:02:15 -06:00 |
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f3fa04ae0a
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bugfix
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2022-03-30 15:01:03 -04:00 |
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66c686f733
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debug info
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2022-03-30 11:56:07 -06:00 |
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c4729b39b4
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replace more uses of XXXINT_FORMAT with fmtlib
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2022-03-30 13:53:25 -04:00 |
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9162d8842d
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debugging
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2022-03-30 11:20:33 -06:00 |
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14f54aae40
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Reax: Preprocessing optimizations to ComputeAngular,Torsion. Modularity boosts + memory reductions for BuildLists
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2022-03-30 08:23:41 -07:00 |
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5003c35963
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have first cut of just pair-dpd
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2022-03-30 16:22:26 +02:00 |
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ddf93eb7ba
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removed unused var
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2022-03-30 15:42:09 +02:00 |
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69d32f286b
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Stan's patch
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2022-03-30 15:10:54 +02:00 |
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2517d1fb55
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Converted DPD-BASIC-EXT to use Kokkos
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2022-03-30 15:10:54 +02:00 |
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9aad583c7d
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more parsing updates
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2022-03-30 07:38:33 -04:00 |
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999c880dfd
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simplify parsing numbers and reduce usage of BIGINT_FORMAT
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2022-03-30 07:12:25 -04:00 |
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0b4959924a
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Merge branch 'lammps:master' into master
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2022-03-30 10:22:53 +01:00 |
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ff3ac64b7e
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spelling
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2022-03-30 03:32:26 -04:00 |
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faacf575b5
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add support for >+FORCES command
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2022-03-29 14:20:44 -06:00 |
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841931b92b
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fleshing out bitorsion fix
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2022-03-29 14:09:17 -06:00 |
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b92d117524
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Merge pull request #3191 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-03-29 14:45:18 -04:00 |
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385b7a77e6
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Merge pull request #3193 from samueljmcameron/stable_fix_brownian_update
BROWNIAN package update
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2022-03-29 13:03:11 -04:00 |
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2a35ec2d85
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Merge pull request #3187 from stanmoore1/kk_opt_neighlist
Optimize Kokkos neigh list for GPUs
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2022-03-29 12:05:34 -04:00 |
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d9880273e3
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fix typo
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2022-03-29 11:54:34 -04:00 |
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9b53bd0fbf
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bitorsion fix
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2022-03-29 09:45:24 -06:00 |
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b8c7a6153d
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whitespace
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2022-03-29 09:49:48 -04:00 |
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bfe361c576
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fix doc building issues
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2022-03-29 09:47:44 -04:00 |
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5ea526728e
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Merge branch 'develop' into stable_fix_brownian_update
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2022-03-29 08:26:11 -04:00 |
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88ff2db715
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cosmetic updates, print warnings only on MPI rank 0
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2022-03-29 08:23:18 -04:00 |
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