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8b055ee4ef
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Fixed compile error for fix_momentum_kokkos.
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2018-10-22 11:24:11 -04:00 |
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3661836a3b
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Merge pull request #1168 from athomps/compute-adf
Created new compute ADF for angular distribution function
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2018-10-20 20:57:38 -04:00 |
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76a2a9ab0a
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Fixed normalization error for ordinate degree
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2018-10-20 17:16:47 -06:00 |
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8223f5e0a3
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Eliminated another initialization error and tweaked rdf-adf example
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2018-10-20 16:46:45 -06:00 |
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8aecefe233
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fix uninitialized data bug in compute adf
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2018-10-20 08:12:19 -04:00 |
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2140caa6f5
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add an example for RDF and ADF computation with water molecules
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2018-10-20 08:12:02 -04:00 |
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fb6f019a11
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correct link to output options
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2018-10-20 06:45:57 -04:00 |
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79da210dc4
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integrate compute adf into manual build infrastructure
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2018-10-20 06:45:28 -04:00 |
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0783f8ad2f
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Added compute_rdf.txt
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2018-10-19 18:43:58 -06:00 |
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3a735d15d4
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Added compute_rdf.cpp
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2018-10-19 18:43:04 -06:00 |
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04a4a29fcf
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Creatd new compute ADF for angular distribution function
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2018-10-19 18:36:11 -06:00 |
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52f02f2bbb
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Merge pull request #1167 from lammps/create-triclinic-lib
fix triclinic rounding bug for lib interface as well
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2018-10-19 19:06:01 -04:00 |
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f82a8493fa
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Merge pull request #1166 from rbberger/cmake_prevent_src_builds
Add src directory to PreventInSourceBuilds checks
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2018-10-19 17:56:25 -04:00 |
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8cd70f7d78
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fix triclinic rounding bug for lib interface as well
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2018-10-19 15:27:38 -06:00 |
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27a46cec8c
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Add src directory to PreventInSourceBuilds checks
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2018-10-19 17:25:18 -04:00 |
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15de09683e
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Merge pull request #1162 from lammps/restart2dump
added -restart2dump command-line option
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2018-10-19 17:24:17 -04:00 |
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f542590090
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Merge pull request #1136 from junghans/cmake_out_source
cmake: prevent in-source build
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2018-10-19 17:02:05 -04:00 |
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01c3ab5979
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update embedded command line help summary string for new feature
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2018-10-19 16:49:06 -04:00 |
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709013be5a
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harden code against buffer overflows
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2018-10-19 16:48:37 -04:00 |
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d9dd80b368
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added -restart2dump command-line option
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2018-10-18 14:24:48 -06:00 |
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4015b36a1a
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Merge pull request #1161 from lammps/create-atoms-single
bug fix for create_atoms single remap and triclinic
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2018-10-18 13:41:28 -04:00 |
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dcde84eb53
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bug fix for create_atoms single remap and triclinic
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2018-10-18 11:22:51 -06:00 |
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0ec9b9a71a
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Merge pull request #1160 from akohlmey/user-ptm-portability
Make USER-PTM compile with MinGW64 for Windows
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2018-10-16 14:52:26 -04:00 |
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2273604533
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resolve portability issues to windows w.r.t. fixed width integer types
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2018-10-16 13:49:06 -04:00 |
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6e99b3d8ff
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Merge pull request #1159 from wmbrownIntel/user-intel-sf-hybrid
Fix to allow suffix and pair hybrid to work together with USER-INTEL.
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2018-10-16 06:09:58 -04:00 |
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bea0a3091d
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Fix to allow suffix and pair hybrid to work together with USER-INTEL.
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2018-10-15 10:25:39 -07:00 |
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7968d2ed22
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Merge pull request #1155 from athomps/sna-atom-leakfix2
Fixed a segfault introduced by memory-leak fix (#1125)
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2018-10-12 13:01:15 -04:00 |
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382e91cf5b
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Merge pull request #1156 from wmbrownIntel/user-intel-hybrid
Adding hybrid support to USER-INTEL package + EAM/intel bug fix
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2018-10-12 12:35:36 -04:00 |
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ce63a22783
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Merge pull request #1157 from wmbrownIntel/user-intel-makefiles
Changes to intel Makefiles to make use of MKL consistent.
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2018-10-12 12:32:28 -04:00 |
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00c75ecb74
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Merge pull request #988 from valleymouth/granular-kokkos
Kokkos port for GRANULAR
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2018-10-12 09:04:36 -06:00 |
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8224c89f93
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Revert size_velocity change in atom_vec_dpd_kokkos
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2018-10-11 16:38:44 -06:00 |
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a223338b47
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Fix hang with Kokkos and USER-DPD examples
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2018-10-11 16:32:44 -06:00 |
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8eb74d8fb3
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Add missing Kokkos pack/unpack comm vel functions
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2018-10-11 13:21:44 -06:00 |
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e5c6b6987a
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Merge branch 'master' of github.com:lammps/lammps into granular-kokkos
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2018-10-11 13:14:25 -06:00 |
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8cbee78725
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Changes to intel Makefiles to make use of MKL consistent.
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2018-10-11 05:46:40 -07:00 |
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c37deebffa
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Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization.
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2018-10-11 05:12:00 -07:00 |
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c142288eb3
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Fixed a segfault introduced by memory-leak fix
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2018-10-10 17:24:14 -06:00 |
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7faa48b4c3
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Merge pull request #1154 from stanmoore1/small_fixes
Small fixes
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2018-10-10 23:05:21 +02:00 |
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a1266a1a1e
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Fix compile error with copysign function
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2018-10-10 14:19:23 -06:00 |
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7cce002cf9
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Makefile fix from the mailing list
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2018-10-10 14:18:24 -06:00 |
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2def00d4c9
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Add missing files to .gitignore
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2018-10-10 14:18:00 -06:00 |
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3d0722b974
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Merge branch 'master' of github.com:lammps/lammps into granular-kokkos
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2018-10-10 10:43:54 -06:00 |
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747f72aca2
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Merge branch 'granular-kokkos' of https://github.com/valleymouth/lammps into granular-kokkos
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2018-10-10 09:53:15 +01:00 |
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1b76e14224
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Merge pull request #1151 from akohlmey/next-patch-release
update version number for next patch release
patch_10Oct2018
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2018-10-10 02:20:50 +02:00 |
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9a0c02a845
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Merge pull request #1150 from mkanski/compute_pair_multiple_pstyles
Extend compute pair to handle multiple instances of a sub-style in pair style hybrid
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2018-10-10 00:48:52 +02:00 |
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70bee26641
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update version number
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2018-10-09 12:59:12 -04:00 |
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7416e113ff
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Merge pull request #1147 from akohlmey/fix-omp-intel-neighbor
Resolve neighbor list request conflict with USER-INTEL and USER-OMP
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2018-10-09 18:40:41 +02:00 |
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791024586e
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Merge pull request #1131 from ckadding/master
Add compute_pressure_cylinder to USER-MISC package
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2018-10-09 18:40:02 +02:00 |
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962fd1df90
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Merge pull request #1146 from jrgissing/maxspecial_restarts
put atom->maxspecial in restarts
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2018-10-09 17:55:24 +02:00 |
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dc6123fafc
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fix stupid typo
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2018-10-08 17:26:21 +02:00 |
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