- Jun 20, 2017
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sjplimp authored
Refactor Dump and Irregular classes to remove static class members
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- Jun 17, 2017
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Axel Kohlmeyer authored
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- Jun 16, 2017
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Axel Kohlmeyer authored
-DLMP_USE_LIBC_QSORT will use qsort() from libc to sort (requires static/global variables). -DLMP_USE_MERGE_SORT will use a plain merge sort. slightly slower for expensive comparisons. -DLMP_USE_HYBRID_SORT will use hybrid merge sort. faster than merge sort (no static/global variables)
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sjplimp authored
recover running USER-DPD with USER-OMP and suffixes
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Axel Kohlmeyer authored
- use insertion sort to pre-sort data in 32-element chunks - swap pointers between merge runs instead of copying the data
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- Jun 15, 2017
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Axel Kohlmeyer authored
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sjplimp authored
Refactor ring communication to no longer require static class variables
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sjplimp authored
Bugfix in AIREBO as reported in #59 by @KammIma
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sjplimp authored
Collected small changes
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Axel Kohlmeyer authored
This reverts commit 06612300.
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sjplimp authored
Affiliation Update for USER-CGDNA
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sjplimp authored
Added compute_scalar to fix_grem
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sjplimp authored
Implemented pair style vashishta in GPU package
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sjplimp authored
Refactoring of USER-TALLY computes to handle sparse/hybrid system for many processors plus bugfixes
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sjplimp authored
Refactor and bugfix for some TIP4P pair styles
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sjplimp authored
Updated NetCDF dump style (dump netcdf)
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sjplimp authored
Kokkos library update to v2.03.05
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sjplimp authored
Some extensions/cleanup in USER-MANIFOLD
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sjplimp authored
Add `reinit` keyword to rigid body fixes
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sjplimp authored
Implement check whether commands or styles try to change cached properties in rigid body integrators
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sjplimp authored
Remove unnecessary thread fences in Kokkos package
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sjplimp authored
Integrate compute cnp/atom contributed by Paulo Branicio (USC)
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sjplimp authored
add "atomonly" optimized neighbor list build styles to USER-OMP
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sjplimp authored
Using correct ndegree instead of nnn
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sjplimp authored
Add USER-OMP compatible OpenMP support to USER-REAXC
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sjplimp authored
added several features to the NEB
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Oliver Henrich authored
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Oliver Henrich authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
The dump and irregular classes were using qsort() from the C-library for sorting lists through custom comparison functions, which required access to additional data, which was passed via static class variables, i.e. globals. This collides with having multiple LAMMPS instances in the same address space. the calls to qsort() are replaced with a custom merge sort, which passes a void pointer to the comparison functions, which can contain any kind of desired information, e.g. a class handle or a list
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- Jun 14, 2017
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Axel Kohlmeyer authored
change ring communication API to no longer require a static variable pointing to 'this' of the caller
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dstelter92 authored
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dstelter92 authored
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dstelter92 authored
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Anders Hafreager authored
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Anders Hafreager authored
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Anders Hafreager authored
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Anders Hafreager authored
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Anders Hafreager authored
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