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85c8db5f86
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Fixing warning in pair_dpd_fdt_energy_kokkos
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2017-01-26 10:10:52 -07:00 |
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be13ecfa17
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Fixing Kokkos warnings
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2017-01-26 10:10:42 -07:00 |
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6cc969db92
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Fixing warnings in Kokkos
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2017-01-26 09:24:13 -07:00 |
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8050eb3aa8
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Another tweak to sync/modify in pair_multi_lucy_rx_kokkos
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2017-01-26 09:17:59 -07:00 |
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c617bc180a
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Adding sync/modify to pair_multi_lucy_rx_kokkos
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2017-01-26 08:52:17 -07:00 |
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8e808f6c6b
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Zeroing variables in pair_exp6_rx_kokkos to match pull request
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2017-01-24 11:45:27 -07:00 |
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5897955e2e
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Fixing GPU memory issue in fix_eos_table_rx_kokkos
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2017-01-24 11:24:47 -07:00 |
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f9bc81b924
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Merge branch 'master' into USER-DPD_kokkos as of patch 20 Jan 2017.
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2017-01-20 16:43:13 -05:00 |
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caea8973a3
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add neighbor list kind output to screen
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2017-01-20 13:24:09 -07:00 |
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aa0ad9b483
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Merge pull request #349 from akohlmey/collected-small-fixes
collected fixes and improvements
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2017-01-20 13:19:43 -07:00 |
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5d0e4e1ba9
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Merge pull request #346 from stanmoore1/kokkos_fixes
Kokkos fixes
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2017-01-20 13:15:16 -07:00 |
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f8d3c4c740
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Merge pull request #345 from timattox/USER-DPD_another_zero_compute
USER-DPD another zero compute optimization
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2017-01-20 13:14:59 -07:00 |
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e6996121d1
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remove dead code
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2017-01-20 14:30:46 -05:00 |
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0887ff1273
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Merge pull request #13 from timattox/master
simplified neighbor list copying, merge from Master branch, merged #13.
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2017-01-20 09:37:07 -07:00 |
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fbfb1df5eb
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fix typo causing wrong neighbor list copy selections
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2017-01-19 20:47:10 -05:00 |
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9a299875da
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simplified neighbor list copying to avoid possible same-timestep re-build issues
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2017-01-19 17:01:15 -07:00 |
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521f3df3d5
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Initialize variables in pair_exp6_rx_kokkos
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2017-01-19 16:54:50 -07:00 |
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fc94f1bd18
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Fixing GPU memory issues in Kokkos
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2017-01-19 12:14:25 -07:00 |
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5ce8e2fbae
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Fixing GPU memory issue in modify_kokkos, need to cherry pick back to Master
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2017-01-19 12:13:48 -07:00 |
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de6442d845
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Fixing GPU memory issues in Kokkos
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2017-01-19 11:55:22 -07:00 |
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917ca19b34
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Fixing GPU memory issue in modify_kokkos, need to cherry pick back to Master
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2017-01-19 09:54:15 -07:00 |
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cf83ce4543
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Adding zero compute to pair_dpd_fdt_energy_kokkos
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2017-01-19 08:44:30 -07:00 |
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116ae9d0c4
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Fixing copy bug in pair_exp6_rx_kokkos
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2017-01-18 14:51:35 -07:00 |
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e05b132289
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Fixing error check in fix_eos_table_rx_kokkos
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2017-01-18 14:18:35 -07:00 |
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f6cd98636b
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USER-DPD: Also apply "check if a0 is zero" optimization to pair_dpd_fdt
This relates to commit 4eb08a5822 that was applied to pair_dpd_fdt_energy
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2017-01-18 16:17:11 -05:00 |
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05cafb716f
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USER-DPD: cleanup initialization of splitFDT_flag in pair_dpd_fdt.cpp
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2017-01-18 15:51:50 -05:00 |
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4f2fcee6df
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Merge branch 'master' into USER-DPD_kokkos as of 3af4b3c28 on 18 Jan. 2017
Includes a critical bugfix for using USER-DPD and MOLECULE together.
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2017-01-18 15:08:32 -05:00 |
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2d32fa8ccb
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Fixing GPU memory issues in atom_vec_dpd_kokkos
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2017-01-18 12:53:40 -07:00 |
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3af4b3c28c
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Merge pull request #337 from ohenrich/user-cgdna
Added source code and documentation for USER-CGDNA
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2017-01-18 11:31:35 -07:00 |
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7fc0970587
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Merge pull request #344 from timattox/USER-DPD_zero_compute
USER-DPD: Skip a0*stuff computations, if a0 was set to zero in pair_coeff
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2017-01-18 11:31:14 -07:00 |
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b38733e5a2
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Fixing GPU memory issue in pair_exp6_rx_kokkos
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2017-01-18 10:15:06 -07:00 |
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96636c7514
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Fixing warnings in pair_exp6_rx_kokkos
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2017-01-17 16:43:55 -07:00 |
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5569c4c130
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Fixing GPU memory issue with fix_property_atom_kokkos
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2017-01-17 16:19:25 -07:00 |
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4eb08a5822
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USER-DPD: Skip a0*stuff computations, if a0 was set to zero in pair_coeff.
This saves around 10% of the runtime for many of our tests using SSA.
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2017-01-17 15:55:39 -05:00 |
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8b4130c0cb
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Fixing issue with pressure in pair_hybrid_kokkos
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2017-01-17 13:28:55 -07:00 |
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91d68e26ef
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Prevent overlapping host/device computation in pair_hybrid_kokkos
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2017-01-17 12:26:00 -07:00 |
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883385c8e4
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Merge branch 'master' into USER-DPD_kokkos as of patch 17Jan17
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2017-01-17 13:19:06 -05:00 |
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01609f55e2
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USER-DPD: bugfix for a segfault when using MOLECULE and DPD together.
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2017-01-17 12:47:59 -05:00 |
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d2fc88a626
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patch 17Jan17
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2017-01-17 10:14:53 -07:00 |
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c52a26382f
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Merge pull request #339 from akohlmey/fixes-for-srp-example
Fixes for srp example
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2017-01-17 09:36:28 -07:00 |
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ad4d299975
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Merge pull request #335 from stanmoore1/neighbor_fixes
Neighbor fixes
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2017-01-17 09:33:25 -07:00 |
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83408b195f
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Merge pull request #342 from epfl-cosmo/ipi-multiinit-bug
Bugfix in the fix_ipi initialization - prevents multiple open_socket calls
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2017-01-17 09:14:03 -07:00 |
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cd7bdf9251
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Merge pull request #341 from stanmoore1/qeq_kk_neighlist
Make fix_qeq_reax_kokkos request its own neighbor list
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2017-01-17 09:13:47 -07:00 |
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8c5b108900
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Merge pull request #340 from stanmoore1/fix_rx_neighborlist
Make fix_rx request its own neighbor list
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2017-01-17 09:13:27 -07:00 |
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c19d2011bb
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Merge pull request #334 from sstrong99/flow_gauss_changeRef
Updated the reference for the flow/gauss method
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2017-01-17 09:12:22 -07:00 |
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973bef4d45
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Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements
Coord atom orientorder atom enhancements
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2017-01-17 09:11:45 -07:00 |
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252e07e083
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Merge pull request #330 from akohlmey/collected-small-bugfixes
Collected small bugfixes
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2017-01-17 09:08:00 -07:00 |
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74a661ae26
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Merge pull request #328 from akohlmey/print-last-command-on-error
print the last input line, when error->all() is called
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2017-01-17 09:05:19 -07:00 |
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d8bc590aaf
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Merge pull request #327 from stanmoore1/kokkos_lib_update
Updating Kokkos lib
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2017-01-17 09:04:12 -07:00 |
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5cd856c97f
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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