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4134d7fddd
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Merge pull request #1854 from akohlmey/next_patch_release
Update version string for the next patch release
patch_24Jan2020
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2020-01-24 20:58:03 -05:00 |
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da35840cd9
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Merge pull request #1520 from stanmoore1/fft
Add threaded FFTs to the KOKKOS package
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2020-01-24 18:21:33 -05:00 |
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9d333c351a
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Small clarification to kspace_style.rst
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2020-01-24 14:42:40 -07:00 |
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669980388a
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Merge branch 'fft' of ssh://github.com/stanmoore1/lammps into fft
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2020-01-24 14:33:31 -07:00 |
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76aaf16c66
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Add check for FFT_FFTW_THREADS and turn off MKL threads for now
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2020-01-24 14:30:11 -07:00 |
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e9d4823d71
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Add cuFFT to Makefile.lassen_kokkos and generalize MPI path
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2020-01-24 13:56:00 -07:00 |
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cb5138a335
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update version string for the next patch release
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2020-01-23 12:00:33 -05:00 |
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f14b200b6a
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correct KOKKOS FFT output for CMake summary one more time
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2020-01-23 00:27:00 -05:00 |
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df23460e18
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Merge branch 'master' into fft
# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
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2020-01-23 00:22:38 -05:00 |
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30444b344b
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Merge pull request #1853 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the next patch release
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2020-01-22 17:25:03 -05:00 |
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8096a78340
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Merge pull request #1852 from vklip/bugfix-gjf
Add unit conversion in setup() in fix_langevin.cpp
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2020-01-22 17:22:01 -05:00 |
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949d7608ba
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Merge pull request #1811 from brycelelbach/bug/missing_execution_space_qualifiers
Fix mismatches in CUDA execution space qualifiers between declarations and definitions.
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2020-01-22 17:10:11 -05:00 |
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c126df4f79
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update KOKKOS FFT status message in CMake summary
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2020-01-22 17:08:58 -05:00 |
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5488efbc03
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fix typo, update maintainer.
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2020-01-22 17:00:10 -05:00 |
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53554fdb84
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add -DFFT_CUFFT for KOKKOS only when KISSFFT is not selected
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2020-01-22 16:56:12 -05:00 |
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70731468df
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include "pppm.h" last so that necessary KOKKOS config define is available
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2020-01-22 16:32:32 -05:00 |
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9d06430894
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Merge pull request #603 from jrgissing/Ncreate_atoms
add exactly N particles to available lattice points
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2020-01-22 15:36:54 -05:00 |
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61ddf9bcd8
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undo accidental edit of KOKKOS cuda mpi makefile
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2020-01-22 15:32:00 -05:00 |
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70b9a060dc
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add missing #endif
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2020-01-22 15:26:34 -05:00 |
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9a27aa4e9e
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Merge branch 'master' into fft
# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
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2020-01-22 15:21:08 -05:00 |
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dfda8b5ce6
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fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic
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2020-01-22 15:18:59 -05:00 |
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40e0e78abd
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import template atom ID check from PR #1822
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2020-01-22 15:02:55 -05:00 |
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bb024bc077
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add call to KSpace::two_charge() that was overlooked
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2020-01-22 14:46:57 -05:00 |
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48cae2703b
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move memory allocation for atom style variable data where it belongs and cannot be skipped
this fixes the bug reported on lammps-users on 2020-01-22 by Olivier Politano
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2020-01-22 14:34:12 -05:00 |
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cc81dc2046
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remove redundant initializers
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2020-01-22 14:32:34 -05:00 |
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8a1f893b43
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repair incorrect conversions on [*] expressions by txt2rst
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2020-01-22 13:20:04 -05:00 |
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37e8195b01
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fix whitespace issue
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2020-01-22 12:44:24 -05:00 |
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a87c7a4a53
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avoid segfault
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2020-01-22 12:41:59 -05:00 |
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64a4bf6a42
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Merge pull request #1850 from lammps/kspace-bugfix
move two_charge_force calc to occur at init, not constructor, fix small bug in pair style extep
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2020-01-22 12:38:33 -05:00 |
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0623859f36
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fix small bug in pair style extep
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2020-01-22 11:25:13 -05:00 |
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0ae40c5967
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Add unit conversion in setup()
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2020-01-22 17:13:10 +01:00 |
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ac143dbdb7
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capitalize comment
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2020-01-21 17:57:12 -07:00 |
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11f687c1fb
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make comment string consistent
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2020-01-21 17:56:00 -07:00 |
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b29ffabe56
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move two_charge_force calc to occur at init, not constructor
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2020-01-21 14:24:55 -07:00 |
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f7dc70a986
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add new error/warning messages to documentation
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2020-01-21 16:05:55 -05:00 |
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a6f59a8607
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Merge remote-tracking branch 'github/master' into Ncreate_atoms
# Conflicts:
# src/create_atoms.cpp
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2020-01-21 15:52:01 -05:00 |
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646dc83394
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remove trailing whitespace
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2020-01-21 15:46:28 -05:00 |
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7728c5069f
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Merge pull request #1845 from akohlmey/collected-small-changes
Collected small changes for next patch release
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2020-01-21 15:45:41 -05:00 |
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d83cf8e4b0
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add Jake's name as contributor
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2020-01-21 13:36:36 -07:00 |
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90ff2eb6c9
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modified versions of creating atoms on subset of lattice, ditto for set type/fraction
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2020-01-21 13:31:47 -07:00 |
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4ea679dd54
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Merge branch 'master' into nparticles
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2020-01-21 13:26:03 -07:00 |
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405eb63a51
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update sphinx extension to automatically pad lists to fill tables and avoid errors processing the documentation
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2020-01-21 11:39:29 -05:00 |
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3db920b8a6
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fix minor issues with docs
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2020-01-20 17:03:54 -05:00 |
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12de17621f
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Merge branch 'master' into collected-small-changes
# Conflicts:
# doc/src/Commands_fix.rst
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2020-01-20 16:59:42 -05:00 |
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795a872bf3
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Merge pull request #1847 from pdebuyl/fix-active
Add fix propel/self
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2020-01-20 16:57:04 -05:00 |
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f03cfba029
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Merge pull request #1820 from ornladios/adios_read_dump
Support read_dump with dump style 'adios'
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2020-01-20 16:27:09 -05:00 |
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946bd8f3c0
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print warning about adjusting the communication cutoff only during integrator or minimizer setup phase
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2020-01-20 16:23:26 -05:00 |
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41cfb91d7d
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Reformat README and mention about the timeout option
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2020-01-20 15:55:31 -05:00 |
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7766b29c97
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replace strncmp by strcmp
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2020-01-20 21:54:29 +01:00 |
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44a814ec1d
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Added 'timeout <value>' option to the adios reader, so that a rerun can concurrently run with the first simulation
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2020-01-20 15:52:21 -05:00 |
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