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da66516dec
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use references when creating styles
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2020-07-13 09:40:58 -04:00 |
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edfb4076ff
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remove dead code and unused variables
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2020-06-30 16:32:30 -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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05f310ef35
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move misplaced neighbor list print log out output call
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2020-06-26 14:04:32 -04:00 |
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f2a4d12f7e
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more output simplification with fmtlib, std::string, and utils::logmesg()
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2020-06-25 23:48:17 -04:00 |
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eb80fd3031
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Add method to copy Kokkos neighbor list to CPU list
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2020-02-26 14:26:46 -07:00 |
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ccd395fdd8
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remove dead code
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2020-01-29 14:34:03 -05:00 |
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78d5bc3d12
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Merge branch 'master' into library_interface_update
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2019-11-12 15:17:32 -05:00 |
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2bbf52073f
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Merge pull request #1759 from akohlmey/hybrid-exclusion-bugfix
Consistent exclusion settings with multiple kspace-like sub-styles in pair hybrid
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2019-11-06 06:24:35 -05:00 |
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ae4764e614
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address pair match issue with multiple hybrid substyles in exclusion settings
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2019-11-05 11:03:25 -05:00 |
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b6b022b610
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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26427cc4cb
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Fixed error in neighbor distance check for box dimensions
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2019-10-01 11:40:21 -06:00 |
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69854eab42
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Expose Neighbor lists via library interface
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2019-09-12 13:46:05 -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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96744c4933
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more include file cleanup
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2019-06-30 15:53:17 -04:00 |
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61e9dc4c8d
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more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp()
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2019-06-07 07:14:57 -04:00 |
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b51d06b3ea
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Change default binsize for Kokkos if running on GPUs
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2019-03-12 15:33:28 -06:00 |
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fbc1c1cfdd
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replace fixed buffer sprintf() with straight fprintf()
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2018-09-06 09:57:10 -04:00 |
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ca04e8f31c
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use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
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2018-09-06 02:57:53 -04:00 |
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e9bc939098
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Fix more unused parameter warnings (#1076)
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2018-08-23 12:22:44 -06:00 |
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994fd2af0e
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move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
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2018-05-09 23:46:09 -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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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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6e3acce3be
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Relax restriction in neighbor.cpp
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2018-01-12 15:44:11 -07:00 |
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0966e14e73
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more changes to rRESPA neighbor lists
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2017-10-17 17:33:01 -06:00 |
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01051e4cb1
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refactoring of neighbor history
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2017-10-10 16:53:51 -06:00 |
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736e063971
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Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge
Resolved conflicts in src/KOKKOS/npair_kokkos.cpp
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2017-08-28 14:46:50 -05:00 |
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81ba181349
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tweak an eq in USER-MESO, also allow neigh to be built w/out styles
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2017-08-25 17:04:36 -06:00 |
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bc446bb8b0
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Merge branch 'master' into USER-DPD_kokkos_testing
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2017-07-25 12:12:30 -06:00 |
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c083d5d6f3
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fix memory leak in list of neighbor list requests
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2017-07-18 00:18:03 -04:00 |
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ea4d11fc5e
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Merge branch 'master' into USER-DPD_kokkos_testing
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2017-06-26 09:36:30 -06:00 |
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1fc2eb1e3e
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fix issue with rRESPA inner/middle neighbor lists
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2017-06-21 15:12:51 -06:00 |
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7dc380b113
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insure compute pair/property local will use a copy of granular neigh list
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2017-06-21 12:44:35 -06:00 |
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2cf83d9fca
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Updating from master to 19May17
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2017-05-25 11:21:10 -06:00 |
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7f9a331c73
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bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
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2017-05-16 15:51:41 -06:00 |
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08ec55743e
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neighbor list bugfix to prevent cycle in copy lists
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2017-05-09 08:55:18 -06:00 |
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addd87c0f7
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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bceaa57614
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Merge branch 'master' into USER-DPD_kokkos as of patch 31Mar17
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2017-04-05 15:05:47 -04:00 |
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c041727e4f
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remove dead code and reduce trivial compiler warnings (clang++)
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2017-03-27 14:28:50 -04:00 |
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17c8e695a4
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Merge branch 'master' into USER-DPD_kokkos as of patch 10 Mar 2017
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2017-03-10 21:37:52 -05:00 |
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b28b84d444
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Fix half from full nlist issue with Kokkos
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2017-03-09 14:00:27 -07:00 |
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de27305227
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Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
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2017-03-07 11:47:18 -07:00 |
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920641bbff
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Merge pull request #399 from rbberger/docs_spelling_fixes
Correct spelling errors in documentation
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2017-03-07 09:47:22 -07:00 |
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efaa4c6710
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new neigh_modify exclude option, other SNAP changes
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2017-03-07 09:31:12 -07:00 |
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7dd60f9737
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Fix typos in src files
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2017-03-05 21:03:40 -05:00 |
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151b3f552b
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USER-DPD: Save pointer to the NPair used to create the NeighList
Gives a user of NeighList access to data stored in a custom NPair
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2017-02-22 15:08:21 -05:00 |
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1cd4c48ccc
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new SNAP potential for W
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2017-02-21 15:49:21 -07:00 |
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f8506fee23
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sync GHub with SVN
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2017-01-26 14:06:43 -07:00 |
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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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