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acd315e97a
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Add basic KOKKOS support to CMake build
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2017-07-15 15:33:36 -05:00 |
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d7355801df
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Make KIM Install.py Python 3 compatible
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2017-07-15 12:03:04 -05:00 |
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4ec07422f0
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avoid division by zero when using cutoff 0.0 with pair_modify shift yes
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2017-07-14 23:33:00 -04:00 |
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b15f75d37b
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Merge branch 'cmake' of github.com:junghans/lammps into cmake
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2017-07-14 22:08:06 -05:00 |
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5e841bfe15
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Added USER-OMP support to CMake build
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2017-07-14 22:07:53 -05:00 |
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3f297382ac
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Revert "do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and division by zero errors"
This reverts commit a04711b21f.
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2017-07-14 22:41:59 -04:00 |
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d079b2f758
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CreateStyleHeader: use temp file
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2017-07-14 18:37:06 -06:00 |
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54f2b02ac8
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cmake: fix install
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2017-07-14 18:33:27 -06:00 |
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0a6e9c8bf6
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added ENABLE_ALL option
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2017-07-14 17:41:13 -06:00 |
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b85979503f
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Add CMake support for more packages
BODY, COLLOID, CLASS2, COMPRESS, CORESHELL, DIPOLE, GRANULAR, MC, MOLECULE, MANYBODY, RIGID
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2017-07-14 18:19:59 -05:00 |
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c7e218f310
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Merge branch 'cmake' of github.com:junghans/lammps into cmake
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2017-07-14 18:06:27 -05:00 |
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335ef11a7b
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Added style header generation with CMake
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2017-07-14 17:49:05 -05:00 |
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296e572e69
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better Install.py script for KIM from Ryan Elliott
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2017-07-14 16:25:16 -06:00 |
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cc9b3864bf
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Merge pull request #577 from v0i0/airebo-kim-difference
AIREBO: Add doc about OpenKIM issue
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2017-07-14 16:22:15 -06:00 |
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d5dcb3d329
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add support for KSPACE
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2017-07-14 15:55:36 -06:00 |
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c07adac22d
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add support for LAMMPS_GZIP
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2017-07-14 14:49:53 -06:00 |
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e4e1252152
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fix LAMMPS_PNG
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2017-07-14 14:44:44 -06:00 |
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842dc1b58c
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cmake: collect link libs
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2017-07-14 14:21:21 -06:00 |
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bbb4d63db9
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use neighbor list exclusions instead of a zero cutoff
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2017-07-14 14:52:08 -04:00 |
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1c92eecea7
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move updated gauss_flow example to the correct folder
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2017-07-14 14:01:41 -04:00 |
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a04711b21f
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do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and division by zero errors
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2017-07-14 13:49:28 -04:00 |
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e084d4dad6
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print warnings in Pair::init() only on MPI rank 0
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2017-07-14 13:48:21 -04:00 |
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522bc13d67
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avoid casts to the wrong derived class, which upsets code analysis tools. seems to improve performance, too.
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2017-07-14 13:47:49 -04:00 |
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14f1d646ad
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provide working examples for all four peridynamics models and reference outputs
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2017-07-14 13:46:19 -04:00 |
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3b1134c164
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correct formatting error in peridynamics pair style docs
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2017-07-14 13:42:02 -04:00 |
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4d4c03a1e4
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restore gaussian flow example that was lost. tweak input to make it usable for comparing
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2017-07-14 12:33:40 -04:00 |
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60faca2896
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added tilt factors
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2017-07-14 10:05:38 -06:00 |
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e5405cdb04
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AIREBO: Add doc about OpenKIM issue
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2017-07-14 17:57:25 +02:00 |
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8a1db83b73
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silence static code analysis warning
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2017-07-14 10:31:51 -04:00 |
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a566419ca6
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Add LAMMPS_LIB_SOURCE_DIR variable in CMakeLists.txt
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2017-07-14 04:36:52 -05:00 |
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fdd3d802f0
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Clean up CMakeList.txt by introducing LAMMPS_SOURCE_DIR variable
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2017-07-14 04:00:38 -05:00 |
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a86b0d4c1b
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Add PNG library detection to CMakeList.txt
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2017-07-14 03:53:07 -05:00 |
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7f1789a0c4
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cmake: add support for REAX and hence Fortran
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2017-07-13 23:30:46 -06:00 |
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bfb449cec9
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cmake: furhter improvments
* Add support for one package
* Add support for JPEG as external package
* Use pre-generated style header
* TODO write a script to generate them
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2017-07-13 22:54:51 -06:00 |
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de45a46529
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Merge branch 'compute_rdf_dynamic' into sanitizer-changes
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2017-07-13 17:39:12 -04:00 |
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32ca58bdf2
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whitespace cleanup
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2017-07-13 17:34:30 -04:00 |
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111786e92e
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avoid trying to free NULL pointers and reallocate storage for OpenMP, when not using OpenMP styles
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2017-07-13 17:33:56 -04:00 |
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132cee9840
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protect warning printf()s to be only printed on rank 0
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2017-07-13 17:33:00 -04:00 |
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609c8b1e87
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add flag to reax/c system struct to signaling, whether OpenMP is active
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2017-07-13 17:32:27 -04:00 |
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9988030409
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Merge pull request #563 from akohlmey/airebo-example
Add AIREBO and AIREBO-M example input deck
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2017-07-13 13:12:30 -06:00 |
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fc36754ca2
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Merge pull request #561 from v0i0/fix-airebo-various
Fix Various AIREBO issues
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2017-07-13 13:10:42 -06:00 |
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3a46c34c2f
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Merge pull request #574 from lammps/snap-virial
changes to SNAP virial from Aidan
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2017-07-13 13:07:29 -06:00 |
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cb935730c0
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Merge branch 'master' into compute_rdf_dynamic
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2017-07-13 15:02:50 -04:00 |
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983eb0e80d
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Merge pull request #572 from junghans/data2xmovie
tools/Makefile: remove remains of data2xmovie
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2017-07-13 11:27:46 -06:00 |
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fc6c10c9a9
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Merge pull request #571 from hasanmetin/reaxc-omp-credits-update
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
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2017-07-13 11:27:18 -06:00 |
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a3a0c9b144
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Merge pull request #570 from akohlmey/collected-small-changes
Collected small changes
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2017-07-13 11:26:47 -06:00 |
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b64849d574
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Merge pull request #569 from ellio167/kim-install-py
Kim install py
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2017-07-13 11:24:43 -06:00 |
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e58bcd8b4a
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Merge pull request #568 from akohlmey/fix_gcmc_parallel_workaround
Workaround for data corruption when using fix gcmc in parallel with shake or fix rigid
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2017-07-13 11:23:49 -06:00 |
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ef2f4980e9
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Merge pull request #566 from akohlmey/compute_rdf_dynamic
Dynamic group and normalization support for compute rdf
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2017-07-13 11:23:22 -06:00 |
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d3a45f6d50
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Merge pull request #560 from aershadinia/master
EES wall potential
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2017-07-13 11:22:47 -06:00 |
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