- 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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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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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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- May 30, 2017
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sjplimp authored
SNAP changes by Aidan
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sjplimp authored
Collection of minor updates
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sjplimp authored
Fix bug where fix/compute style names were not correctly set with suffixes
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sjplimp authored
Collected small updates and bugfixes
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sjplimp authored
Using correct value for atom->nlocal in translate/rotate in fix_gcmc.cpp
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sjplimp authored
Setting molecule COM to 0 after moving atoms
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Steve Plimpton authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
must not use strtok() in library function as it is not re-entrant and may be used inside LAMMPS commands
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Axel Kohlmeyer authored
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- May 29, 2017
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Axel Kohlmeyer authored
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- May 27, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- May 26, 2017
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Stefan Paquay authored
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Axel Kohlmeyer authored
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- May 25, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- May 24, 2017
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Axel Kohlmeyer authored
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Stefan Paquay authored
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- May 22, 2017
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Axel Kohlmeyer authored
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- May 21, 2017
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Axel Kohlmeyer authored
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- May 19, 2017
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Steve Plimpton authored
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Richard Berger authored
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- May 18, 2017
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sjplimp authored
Doc and example fixes
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