3a054d1a82
Fix more typos in src files
2017-03-07 00:55:01 -05:00
4b3197202b
USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos
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NOTE: pair evaluation order changes, causing numerical differences!
Atom pair processing order is fully planned out in npair_half_bin_newton_ssa
Makes the SSA neighbor list structure very different. Do not use by others!
Each local is in ilist, numneigh, and firstneigh four times instead of once.
Changes LAMMPS core code that had been previously changed for USER-DPD/SSA:
Removes ssaAIR[] from class Atom as it is now unused.
Removes ndxAIR_ssa[] from class NeighList as it is now unused.
Increases length of ilist[], numneigh[], and firstneigh[] if SSA flag set.
2017-02-22 15:08:21 -05:00
26d50853e9
Merge branch 'master' as of patch 6Jan17 into USER-DPD_kokkos
2017-01-09 13:12:02 -05:00
42bbeb3f16
NULLing pointers after delete
2017-01-04 16:04:05 +01:00
f47a40b2e4
Fixing Kokkos memory deallocation issue
2016-12-16 10:02:01 -07:00
218e121b41
Merge branch 'master' into bounds-error-with-code-line
2016-10-28 11:11:28 -04:00
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
f9a9e27f5a
add error location propagation to atom->set_mass() and atom->check_mass()
2016-10-26 16:01:40 -04:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
b190abea39
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-08 20:20:32 +00:00
083ff54c0c
small bug fixes
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2016-08-31 20:26:15 +00:00
639ea6c396
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2016-08-10 14:59:04 +00:00
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2016-06-17 23:48:15 +00:00
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2016-06-16 19:49:06 +00:00
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2016-05-31 16:20:32 +00:00
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2016-01-28 21:24:58 +00:00
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2016-01-12 00:43:44 +00:00
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2016-01-11 21:59:49 +00:00
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2015-12-17 23:05:20 +00:00
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2015-07-16 23:36:46 +00:00
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2015-07-08 22:23:08 +00:00
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2014-12-12 00:20:19 +00:00
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