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15739 Commits

Author SHA1 Message Date
Steve Plimpton d1f260a765 undo changes to PRD doc from another branch 2018-10-19 09:53:19 -06:00
Steve Plimpton 36a1ca7e72 updates some one-line style defs 2018-10-19 09:53:19 -06:00
Steve Plimpton 5f1c77ced2 tweaks to USER-PTM package doc 2018-10-19 09:53:18 -06:00
Steve Plimpton dc89bdd924 more changes augmenting lists with USER styles and to core/shell doc pages 2018-10-19 09:53:18 -06:00
Steve Plimpton a979c6eeec updating files that have lists of command styles 2018-10-19 09:53:18 -06:00
Axel Kohlmeyer 4015b36a1a
Merge pull request #1161 from lammps/create-atoms-single 
bug fix for create_atoms single remap and triclinic
 2018-10-18 13:41:28 -04:00
Steve Plimpton dcde84eb53 bug fix for create_atoms single remap and triclinic 2018-10-18 11:22:51 -06:00
Axel Kohlmeyer 0ec9b9a71a
Merge pull request #1160 from akohlmey/user-ptm-portability 
Make USER-PTM compile with MinGW64 for Windows
 2018-10-16 14:52:26 -04:00
Axel Kohlmeyer 2273604533 resolve portability issues to windows w.r.t. fixed width integer types 2018-10-16 13:49:06 -04:00
Axel Kohlmeyer 6e99b3d8ff
Merge pull request #1159 from wmbrownIntel/user-intel-sf-hybrid 
Fix to allow suffix and pair hybrid to work together with USER-INTEL.
 2018-10-16 06:09:58 -04:00
Michael Brown bea0a3091d Fix to allow suffix and pair hybrid to work together with USER-INTEL. 2018-10-15 10:25:39 -07:00
Axel Kohlmeyer 7968d2ed22
Merge pull request #1155 from athomps/sna-atom-leakfix2 
Fixed a segfault introduced by memory-leak fix (#1125)
 2018-10-12 13:01:15 -04:00
Axel Kohlmeyer 382e91cf5b
Merge pull request #1156 from wmbrownIntel/user-intel-hybrid 
Adding hybrid support to USER-INTEL package + EAM/intel bug fix
 2018-10-12 12:35:36 -04:00
Axel Kohlmeyer ce63a22783
Merge pull request #1157 from wmbrownIntel/user-intel-makefiles 
Changes to intel Makefiles to make use of MKL consistent.
 2018-10-12 12:32:28 -04:00
Stan Moore 00c75ecb74
Merge pull request #988 from valleymouth/granular-kokkos 
Kokkos port for GRANULAR
 2018-10-12 09:04:36 -06:00
Stan Moore 8224c89f93 Revert size_velocity change in atom_vec_dpd_kokkos 2018-10-11 16:38:44 -06:00
Stan Moore a223338b47 Fix hang with Kokkos and USER-DPD examples 2018-10-11 16:32:44 -06:00
Stan Moore 8eb74d8fb3 Add missing Kokkos pack/unpack comm vel functions 2018-10-11 13:21:44 -06:00
Stan Moore e5c6b6987a Merge branch 'master' of github.com:lammps/lammps into granular-kokkos 2018-10-11 13:14:25 -06:00
Michael Brown 8cbee78725 Changes to intel Makefiles to make use of MKL consistent. 2018-10-11 05:46:40 -07:00
Michael Brown c37deebffa Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization. 2018-10-11 05:12:00 -07:00
Aidan Thompson c142288eb3 Fixed a segfault introduced by memory-leak fix 2018-10-10 17:24:14 -06:00
Axel Kohlmeyer 7faa48b4c3
Merge pull request #1154 from stanmoore1/small_fixes 
Small fixes
 2018-10-10 23:05:21 +02:00
Stan Moore a1266a1a1e Fix compile error with copysign function 2018-10-10 14:19:23 -06:00
Stan Moore 7cce002cf9 Makefile fix from the mailing list 2018-10-10 14:18:24 -06:00
Stan Moore 2def00d4c9 Add missing files to .gitignore 2018-10-10 14:18:00 -06:00
Stan Moore 3d0722b974 Merge branch 'master' of github.com:lammps/lammps into granular-kokkos 2018-10-10 10:43:54 -06:00
Denis Taniguchi 747f72aca2 Merge branch 'granular-kokkos' of https://github.com/valleymouth/lammps into granular-kokkos 2018-10-10 09:53:15 +01:00
Axel Kohlmeyer 1b76e14224
Merge pull request #1151 from akohlmey/next-patch-release 
update version number for next patch release
 2018-10-10 02:20:50 +02:00
Axel Kohlmeyer 9a0c02a845
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
 2018-10-10 00:48:52 +02:00
Axel Kohlmeyer 70bee26641 update version number 2018-10-09 12:59:12 -04:00
Axel Kohlmeyer 7416e113ff
Merge pull request #1147 from akohlmey/fix-omp-intel-neighbor 
Resolve neighbor list request conflict with USER-INTEL and USER-OMP
 2018-10-09 18:40:41 +02:00
Axel Kohlmeyer 791024586e
Merge pull request #1131 from ckadding/master 
Add compute_pressure_cylinder to USER-MISC package
 2018-10-09 18:40:02 +02:00
Axel Kohlmeyer 962fd1df90
Merge pull request #1146 from jrgissing/maxspecial_restarts 
put atom->maxspecial in restarts
 2018-10-09 17:55:24 +02:00
Axel Kohlmeyer dc6123fafc fix stupid typo 2018-10-08 17:26:21 +02:00
Axel Kohlmeyer 3c41295e70 change implementation to be consistent with pair_coeff and remain backward compatible 2018-10-08 17:23:22 +02:00
Axel Kohlmeyer e7ca200e97
Merge pull request #1149 from akohlmey/doc-adjust-bugfix 
correct typo in USER-SMD introduced by doc-adjust PR
 2018-10-05 22:21:33 +02:00
mkanski 8b944e06f0 Small changes in doc file 2018-10-05 21:08:18 +02:00
Axel Kohlmeyer 8960774b16 correct typo in USER-SMD introduced by doc-adjust PR 2018-10-05 14:55:18 -04:00
mkanski 1e9778b81e Extend compute pair to handle multiple instances of a given pair style 2018-10-05 20:34:12 +02:00
Axel Kohlmeyer d805796cd7
Merge pull request #1133 from lammps/doc-adjust 
Multiple documentation adjustments and corrections from Steve and Axel
 2018-10-05 20:20:18 +02:00
Denis Taniguchi 0c1ff5ac3e Fixing issues with AtomVecSphereKokkos not correctly handling cases with varying and constant radius. 2018-10-05 17:10:31 +01:00
Axel Kohlmeyer 61e2cd3f61 avoid requesting threaded neighbor lists that are both threaded via USER-OMP and USER-INTEL 2018-10-05 16:03:11 +02:00
Axel Kohlmeyer e024658cec Merge branch 'doc_cleanup' of https://github.com/jrgissing/lammps into maxspecial_restarts 2018-10-05 14:15:39 +02:00
Axel Kohlmeyer 17853aef20 modify restart changes, so it stays backward compatible and does not result in unexpected behavior when reading old restarts. also use consistent naming conventions for enum entries 2018-10-05 09:47:47 +02:00
jrgissing 7f8302b65b replace extra_special with maxspecial in restarts 2018-10-04 22:08:43 -06:00
jrgissing fd20eb93b2 remove listing of extinct special_bonds 'extra' keyword 2018-10-04 21:30:34 -06:00
Jacob Gissinger b16a83cddc
Merge pull request #28 from lammps/master 
rebase
 2018-10-04 21:26:22 -06:00
Axel Kohlmeyer cdea8968c2
Merge pull request #1143 from athomps/semigrand_issue_1139 
Fixed sign error on mu for semigrand variant of fix atom/swap
 2018-10-03 07:42:56 +02:00
Aidan Thompson 9e9b97231c Fixed sign error on mu for semigrand variant 2018-10-02 16:56:27 -06:00