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ca8b109a1c
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Fix issues with rmass in KOKKOS package
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2018-07-10 08:59:06 -06:00 |
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1ed25d195b
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convert c-style includes for c-library calls to c++-style
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2018-07-10 09:48:49 -04:00 |
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792b182cb0
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whitespace cleanup
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2018-07-10 09:46:08 -04:00 |
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ade9b7bfc3
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Commit2 JT 070918
- modified the citeme reference (replaced by the JCP one)
- same modification in doc and src/SPIN
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2018-07-10 09:44:14 -04:00 |
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9d5dc561ca
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Commit1 JT 070918
- created README in examples/SPIN
- modified doc/src/set.txt to define 'spin' and 'spin/random' keywords
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2018-07-10 09:44:14 -04:00 |
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199c96f985
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update and clarify the choice of atom ids for angle style dipole (which is not really an angle potential)
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2018-07-10 09:22:41 -04:00 |
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ad4f61a5ce
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update fatbin makefile for libgpu.a to latest additions
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2018-07-10 09:07:54 -04:00 |
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55980294f1
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Fix issues in atom_vec_sphere_kokkos
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2018-07-09 18:47:17 -06:00 |
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13338bf8cb
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small changes to Trung body files
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2018-07-09 16:15:15 -06:00 |
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ee98d026dc
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preliminary documentation added (to be improved)
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2018-07-09 14:28:25 -06:00 |
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75ec0a6a99
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remove HTML file
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2018-07-09 14:17:21 -06:00 |
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3a824b3a4b
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mods to Sergey's files
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2018-07-09 14:16:46 -06:00 |
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dd38318f5f
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adjustments to indention and line lengths (<=80 now)
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2018-07-09 14:12:06 -06:00 |
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4c4d8372e4
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removed C++ std::cout I/O and replaced it with printf
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2018-07-09 14:01:06 -06:00 |
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dbfea0e617
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update folder structure to comply to LAMMPS contribution rules
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2018-07-09 13:53:31 -06:00 |
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f698e37bf2
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merged latest version of CMakeLists.txt with custom one (adding USER-SCAFACOS)
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2018-07-09 13:41:35 -06:00 |
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4743bb3c30
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rename of the ScaFaCoS package
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2018-07-09 13:35:46 -06:00 |
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400ae72267
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added tolerance to the example
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2018-07-09 13:18:28 -06:00 |
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b259de95d2
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fix for ScaFaCoS library
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2018-07-09 13:00:52 -06:00 |
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c84ae38e34
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Fixed installation scripts for PLUMED
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2018-07-09 17:27:41 +01:00 |
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43cdca80f2
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Fixed passing of charges
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2018-07-09 15:06:10 +01:00 |
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0c1dcfb617
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Favor copymode instead of cleanup_copy
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2018-07-06 17:06:37 -06:00 |
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ee98daeba5
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Fix bug in atom_vec_sphere_kokkos
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2018-07-06 16:47:55 -06:00 |
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2cd95d1a99
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Fix misnamed variable in comm_kokkos
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2018-07-06 15:47:14 -06:00 |
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13d562e969
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Removed wrong which variable
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2018-07-06 12:06:09 -06:00 |
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228caa3fab
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Remove randomread from radius to prevent Kokkos runtime error when radius isn't defined
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2018-07-06 11:59:25 -06:00 |
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64fb7674b1
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Fix compile warning in fix_freeze_kokkos
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2018-07-06 11:58:42 -06:00 |
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cce0755ee9
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Fix memory free issue in fix_neigh_history_kokkos
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2018-07-06 10:08:21 -06:00 |
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67ed11a960
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Allow Kokkos version of fix gravity in fix pour, including kk/device and kk/host suffixes
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2018-07-06 09:52:41 -06:00 |
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db75232957
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Removed debug print and comment.
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2018-07-06 11:31:48 -04:00 |
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acb0436057
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Allow Kokkos version of fix gravity in fix pour
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2018-07-06 09:31:48 -06:00 |
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2f3343b7ed
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Fixing dependencies with GRANULAR.
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2018-07-06 05:24:26 -04:00 |
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13efc1b76d
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Attempt to fix compilation issue with kokkos_omp.
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2018-07-05 18:32:19 -04:00 |
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24405217d0
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Updated Install.sh in KOKKOS.
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2018-07-05 11:20:27 -04:00 |
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dc93d4ceea
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Added virial computation to PairGranHookeHistoryKokkos.
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2018-07-05 06:03:27 -04:00 |
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7260bb58e1
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Added Axilrod-Teller manybody potential
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2018-07-04 11:03:30 +01:00 |
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a6df61a637
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Making ComputeTempKokkos compatible with rmass in device memory.
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2018-07-03 12:05:21 -04:00 |
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f394ed94f3
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dump vtk also works with VTK version 8.
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2018-07-03 11:33:55 -04:00 |
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11a5ed0e03
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Porting fix freeze to Kokkos.
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2018-07-03 11:29:13 -04:00 |
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a365246e3a
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Porting fix gravity to Kokkos.
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2018-07-03 11:21:54 -04:00 |
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8ebe38474d
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Porting fix nve/sphere to Kokkos.
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2018-07-03 11:13:27 -04:00 |
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0a5b027bac
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Porting pair gran/hooke/history to Kokkos.
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2018-07-03 11:10:27 -04:00 |
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7f5a83cb1d
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Added first go at checks on PLUMED interface to LAMMPS
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2018-07-02 17:04:19 +01:00 |
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b299bfa821
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Started adding tests on PLUMED interface
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2018-07-02 13:58:38 +01:00 |
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2c5f2a6683
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Added running example of PLUMED + LAMMPS
Not sure if this has been done correctly. I add both the input and the output
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2018-07-02 10:22:23 +01:00 |
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a52ddf8759
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patch 29Jun18
patch_29Jun2018
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2018-06-30 08:03:24 -06:00 |
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0f71ed1fec
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Merge pull request #983 from akohlmey/python-module-typo
fix typo in python module
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2018-06-29 17:23:45 -06:00 |
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43ffee980d
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fix typo in python module
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2018-06-29 19:07:14 -04:00 |
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560b34aad0
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Merge pull request #982 from lammps/doc-tweak-again
couple more doc tweaks - sigh
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2018-06-29 16:35:46 -06:00 |
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ea35235ca0
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couple more doc tweaks - sigh
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2018-06-29 16:12:25 -06:00 |
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