lammps/srcmaster
lammps/src
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
4843296d4e57 | sjplimp/GitHub | Merge pull request #372 from akohlmey/fft-cleanup | Feb 13 2017 | |||
2bdda8f6c013 | Steve Plimpton | patch 12Feb17 - change int to tagint for compute group/group | Feb 13 2017 | |||
0068ef56168f | Steve Plimpton | added molecule option to compute group/group command | Feb 10 2017 | |||
a5f830c40c6e | Axel Kohlmeyer | fix typo | Feb 8 2017 | |||
191453e1c73d | Axel Kohlmeyer | Merge branch 'master' into fft-cleanup | Feb 3 2017 | |||
207adc3968ff | sjplimp/GitHub | Merge pull request #373 from stanmoore1/kk_more_bugfixes | Feb 3 2017 | |||
84c517159d07 | sjplimp/GitHub | Merge pull request #368 from Pakketeretet2/kokkos_morse | Feb 3 2017 | |||
6ca377436f8b | sjplimp/GitHub | Merge pull request #366 from rbberger/kokkos_lammps_bigbig_fix | Feb 3 2017 | |||
dc34a32602ef | sjplimp/GitHub | Merge pull request #362 from ibaned/warnings2 | Feb 3 2017 | |||
067119f6c642 | Stan Moore | Adding missing friend statement to pair_lj_class2_coul_cut_kokkos | Feb 2 2017 | |||
1834a5e46c3a | Stan Moore | Fixing more Kokkos per-atom and fdotr issues | Feb 2 2017 | |||
6a4918b39abe | Stan Moore | Fixing typo in pair_buck_coul_cut_kokkos | Feb 2 2017 | |||
5da0d393921d | Stan Moore | Fixing fdotr in pair_buck_coul_cut_kokkos | Feb 2 2017 | |||
6f92429602d6 | Stan Moore | Fixing per-atom ev issue | Feb 2 2017 | |||
38e0e4bb69ff | Stan Moore | Add missing typedef in Kokkos pair styles | Feb 2 2017 | |||
daf9f95381c2 | Stan Moore | Fixing Kokkos per-atom e/v issue | Feb 2 2017 | |||
6bcec9c61d18 | Richard Berger/GitHub | Merge pull request #2 from stanmoore1/kk_tag_bugfixes | Feb 2 2017 | |||
9d1991bf840c | Axel Kohlmeyer | remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3 | Feb 2 2017 | |||
0a87b7443a75 | Stefan Paquay | Updated contributing authors and docs | Feb 2 2017 | |||
7ee45ec5f354 | Stan Moore | Fixing tagint and imageint issues in Kokkos package | Feb 1 2017 | |||
d4c9e2500be8 | Stefan Paquay | Ported Morse to KOKKOS | Feb 1 2017 | |||
6232073d3b76 | Stefan Paquay | Removed traces of pair morse/kk | Feb 1 2017 | |||
ed59193d13f8 | Stefan Paquay | Removed traces of pair morse/kk | Feb 1 2017 | |||
bcb1d94b9a12 | Axel Kohlmeyer | silence compiler warning about dead code | Feb 1 2017 | |||
fbe30b56835c | Axel Kohlmeyer | correct issue with compiling for -DLAMMPS_BIGBIG in fix qeq/reax/kk | Feb 1 2017 | |||
9ef55fedf795 | Axel Kohlmeyer | Merge branch 'kokkos_lammps_bigbig_fix' of https://github.com/rbberger/lammps… | Jan 31 2017 | |||
997142a4c1d4 | sjplimp/GitHub | Merge pull request #364 from stanmoore1/kk_triclinic_neighlist | Jan 30 2017 | |||
51a0b6b445e5 | Richard Berger | Fix data type of molecule array in npair_kokkos.h | Jan 28 2017 | |||
59f4a77dd509 | Stan Moore | Whitespace change to npair_kokkos | Jan 27 2017 | |||
579cc6d7aab5 | Stan Moore | More tweaks to npair_kokkos for triclinic | Jan 27 2017 | |||
5afd3e995b74 | Stan Moore | Adding support to npair_kokkos for triclinic-newton-on neighborlists | Jan 27 2017 | |||
2a6f5e651ce6 | Dan Ibanez | more preference of datamask over custom sync | Jan 27 2017 | |||
09fc8b0bd731 | Dan Ibanez | kspace & dihedral can't do their own sync/modify | Jan 27 2017 | |||
e5d0bde78339 | Dan Ibanez | pppm_kokkos: remove useless statement | Jan 27 2017 | |||
9daf7fb6509e | Dan Ibanez | pppm_kokkos: don't shadow member variables | Jan 27 2017 | |||
b5d622c6a381 | Dan Ibanez | pppm_kokkos: remove unused variables | Jan 27 2017 | |||
2023fa28e017 | Dan Ibanez | consistent #ifdefs for fft3d variable (2) | Jan 27 2017 | |||
5b29515849ad | Dan Ibanez | fft3d: use C++ loop declarations | Jan 27 2017 | |||
5b18421dd204 | Dan Ibanez | fft3d : remove unused variables | Jan 27 2017 | |||
cf95ea070973 | Dan Ibanez | fft3d: only declare variables when used | Jan 27 2017 | |||
6a74a81da023 | Dan Ibanez | consistent #ifdefs for fft3d variable | Jan 27 2017 | |||
f0a4ed615dc5 | Dan Ibanez | add missing KOKKOS_INLINE_FUNCTION for params | Jan 27 2017 | |||
cfe818a17564 | Dan Ibanez | remove unused variables from fix_cmap | Jan 27 2017 | |||
f8506fee23e1 | Steve Plimpton | sync GHub with SVN | Jan 26 2017 | |||
18e55843113a | sjplimp/GitHub | Merge pull request #354 from stanmoore1/kokkos_bugfixes | Jan 26 2017 | |||
851f80464fd2 | sjplimp/GitHub | Merge pull request #361 from akohlmey/user-omp-fix-per-atom-data | Jan 26 2017 | |||
5971d4c9948c | sjplimp/GitHub | Merge pull request #358 from ibaned/warnings | Jan 26 2017 | |||
868d95f0a500 | sjplimp/GitHub | Merge pull request #352 from akohlmey/fix-skip-with-ghost-issue | Jan 26 2017 | |||
8b7bd9d88eb4 | Axel Kohlmeyer | fix bug where per atom data for USER-OMP was reducing the wrong arrays with… | Jan 26 2017 | |||
672bbbe494df | Dan Ibanez | add more missing KOKKOS_INLINE_FUNCTION attributes | Jan 26 2017 | |||
03c9c4653386 | Dan Ibanez | add missing KOKKOS_INLINE_FUNCTION attributes | Jan 25 2017 | |||
e992bfe510b5 | Dan Ibanez | remove unused variable | Jan 25 2017 | |||
053ee54a274c | Dan Ibanez | remove unused variable | Jan 25 2017 | |||
1074c6734be5 | Dan Ibanez | add missing return keywords | Jan 25 2017 | |||
60b48c9d661f | Dan Ibanez | add missing KOKKOS_INLINE_FUNCTION attributes | Jan 25 2017 | |||
3d40b5170868 | Dan Ibanez | remove unused variable | Jan 25 2017 | |||
effbe18c466f | Dan Ibanez | fix domain boundary indexing | Jan 25 2017 | |||
6328beb7d791 | Dan Ibanez | fix double-return warning | Jan 25 2017 | |||
26c8d3d98f47 | Stan Moore | Fixing GPU memory issue in fix_langevin_kokkos | Jan 25 2017 | |||
73177d650de3 | Stan Moore | Fixing GPU memory issue in domain_kokkos | Jan 25 2017 | |||
b5cb74bd3343 | Axel Kohlmeyer | skip list build is compatible with NP_GHOST | Jan 24 2017 | |||
31976d1dee2d | Axel Kohlmeyer | skip list definition was missing NP_HALFFULL flag | Jan 24 2017 | |||
c8260af37cc0 | Christopher Stone | Possible uninitialized variable in USER-DPD/pair_exp6_rx.cpp bugfix. | Jan 23 2017 | |||
caea8973a3ba | Steve Plimpton | add neighbor list kind output to screen | Jan 20 2017 | |||
aa0ad9b4835e | sjplimp/GitHub | Merge pull request #349 from akohlmey/collected-small-fixes | Jan 20 2017 | |||
5d0e4e1ba971 | sjplimp/GitHub | Merge pull request #346 from stanmoore1/kokkos_fixes | Jan 20 2017 | |||
f8d3c4c7403d | sjplimp/GitHub | Merge pull request #345 from timattox/USER-DPD_another_zero_compute | Jan 20 2017 | |||
e6996121d1c1 | Axel Kohlmeyer | remove dead code | Jan 20 2017 | |||
fbfb1df5eb11 | Axel Kohlmeyer | fix typo causing wrong neighbor list copy selections | Jan 20 2017 | |||
9a299875dade | Steve Plimpton | simplified neighbor list copying to avoid possible same-timestep re-build issues | Jan 20 2017 | |||
fc94f1bd18ef | Stan Moore | Fixing GPU memory issues in Kokkos | Jan 19 2017 | |||
5ce8e2fbaea3 | Stan Moore | Fixing GPU memory issue in modify_kokkos, need to cherry pick back to Master | Jan 19 2017 | |||
f6cd98636b8b | Tim Mattox | USER-DPD: Also apply "check if a0 is zero" optimization to pair_dpd_fdt This… | Jan 18 2017 | |||
05cafb716fcb | Tim Mattox | USER-DPD: cleanup initialization of splitFDT_flag in pair_dpd_fdt.cpp | Jan 18 2017 | |||
3af4b3c28c8b | sjplimp/GitHub | Merge pull request #337 from ohenrich/user-cgdna | Jan 18 2017 | |||
7fc097058708 | sjplimp/GitHub | Merge pull request #344 from timattox/USER-DPD_zero_compute | Jan 18 2017 | |||
4eb08a5822c5 | Tim Mattox | USER-DPD: Skip a0*stuff computations, if a0 was set to zero in pair_coeff. This… | Jan 17 2017 | |||
01609f55e2b3 | Tim Mattox | USER-DPD: bugfix for a segfault when using MOLECULE and DPD together. | Jan 17 2017 | |||
d2fc88a626e3 | Steve Plimpton | patch 17Jan17 | Jan 17 2017 | |||
c52a26382f89 | sjplimp/GitHub | Merge pull request #339 from akohlmey/fixes-for-srp-example | Jan 17 2017 | |||
ad4d2999755a | sjplimp/GitHub | Merge pull request #335 from stanmoore1/neighbor_fixes | Jan 17 2017 | |||
83408b195fcb | sjplimp/GitHub | Merge pull request #342 from epfl-cosmo/ipi-multiinit-bug | Jan 17 2017 | |||
cd7bdf9251b6 | sjplimp/GitHub | Merge pull request #341 from stanmoore1/qeq_kk_neighlist | Jan 17 2017 | |||
8c5b10890025 | sjplimp/GitHub | Merge pull request #340 from stanmoore1/fix_rx_neighborlist | Jan 17 2017 | |||
c19d2011bb0f | sjplimp/GitHub | Merge pull request #334 from sstrong99/flow_gauss_changeRef | Jan 17 2017 | |||
973bef4d4527 | sjplimp/GitHub | Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements | Jan 17 2017 | |||
252e07e0838f | sjplimp/GitHub | Merge pull request #330 from akohlmey/collected-small-bugfixes | Jan 17 2017 | |||
74a661ae264f | sjplimp/GitHub | Merge pull request #328 from akohlmey/print-last-command-on-error | Jan 17 2017 | |||
d8bc590aaf1f | sjplimp/GitHub | Merge pull request #327 from stanmoore1/kokkos_lib_update | Jan 17 2017 | |||
5cd856c97f97 | Steve Plimpton | fix spring doc page update | Jan 17 2017 | |||
2f13365cf5f3 | Axel Kohlmeyer | avoid spurious error message, when no storage fix is active/used | Jan 16 2017 | |||
0a2b78acb877 | Axel Kohlmeyer | rather than adjusting the communication cutoff, we just print out the minimum… | Jan 16 2017 | |||
3f46b6d7829a | Axel Kohlmeyer | fix bugs from incorrect code synchronization | Jan 16 2017 | |||
5abd6e512250 | Axel Kohlmeyer | reordering operations in Pair::init_style() to avoid segfaults w/o a kspace… | Jan 16 2017 | |||
f3a82f454eea | Michele Ceriotti | Included a flag to prevent multiple open_socket calls if run is included… | Jan 16 2017 | |||
473a3ebeeff2 | Axel Kohlmeyer | fix for bug with compute rdf with pair reax/c. we must not copy a neighbor list… | Jan 15 2017 | |||
b220850377e5 | Stan Gerald Moore (stamoor) | Removing neighbor list hack in fix_qeq_reax_kokkos | Jan 15 2017 | |||
fa00e0593fc7 | Stan Gerald Moore (stamoor) | Make fix_rx request its own neighbor list | Jan 14 2017 | |||
4a09399dc64c | Axel Kohlmeyer | during setup, checking timestep doesn't seem to be sufficient. comparing bins… | Jan 14 2017 | |||
5821fe8dd563 | Axel Kohlmeyer | correct out-of-bounds accesses | Jan 14 2017 |
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