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65ebbdada3
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add DEPRECATED compute style
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2018-10-17 16:05:10 -04:00 |
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b71f530bd0
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make default style name for deprecated styles uppercase, so it is considered internal
also consolidate the writeout message across styles into a single convenience function
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2018-10-17 16:04:52 -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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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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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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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
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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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3c41295e70
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change implementation to be consistent with pair_coeff and remain backward compatible
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2018-10-08 17:23:22 +02:00 |
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8960774b16
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correct typo in USER-SMD introduced by doc-adjust PR
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2018-10-05 14:55:18 -04:00 |
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1e9778b81e
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Extend compute pair to handle multiple instances of a given pair style
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2018-10-05 20:34:12 +02:00 |
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d805796cd7
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Merge pull request #1133 from lammps/doc-adjust
Multiple documentation adjustments and corrections from Steve and Axel
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2018-10-05 20:20:18 +02:00 |
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0c1ff5ac3e
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Fixing issues with AtomVecSphereKokkos not correctly handling cases with varying and constant radius.
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2018-10-05 17:10:31 +01:00 |
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43ae9656d7
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add a "deprecated" command style for flagging future removed commands
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2018-10-05 17:23:09 +02:00 |
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61e2cd3f61
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avoid requesting threaded neighbor lists that are both threaded via USER-OMP and USER-INTEL
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2018-10-05 16:03:11 +02:00 |
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17853aef20
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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
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2018-10-05 09:47:47 +02:00 |
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7f8302b65b
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replace extra_special with maxspecial in restarts
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2018-10-04 22:08:43 -06:00 |
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b02d3b1b94
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cosmetic change
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2018-10-04 12:24:46 +02:00 |
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a1a9f34c18
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pair style deprecated now functional and compatible with hybrid pair styles
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2018-10-04 12:18:28 +02:00 |
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c3abf13af1
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don't allow hybrid/overlay as hybrid substyle as well
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2018-10-04 12:18:01 +02:00 |
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9e9b97231c
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Fixed sign error on mu for semigrand variant
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2018-10-02 16:56:27 -06:00 |
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a549752764
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reduce compiler warnings and some more whitespace adjustments
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2018-10-02 15:18:15 -04:00 |
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590ab1661e
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convert more system headers to c++ style
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2018-10-02 15:17:11 -04:00 |
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08b135ce6b
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Apply uniform LAMMPS formatting
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2018-10-02 14:54:09 -04:00 |
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a6ba55080f
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Use MathConst namespace
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2018-10-02 14:33:49 -04:00 |
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e3b80e734a
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remove trailing whitespace
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2018-10-02 12:37:13 -04:00 |
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ff7449b29a
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ensure, that we have no division by zero and add an upper limit for bins
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2018-10-02 12:27:05 -04:00 |
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13d3903e8d
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integrate compute pressure/cylinder into build and README
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2018-10-02 11:56:29 -04:00 |
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57b2f60556
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Fix bug in Kokkos EAM
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2018-10-02 09:45:13 -06:00 |
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c7c0defa77
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Insert a comma
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2018-10-02 10:45:43 -04:00 |
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ac658a17fc
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Update compute_pressure_cylinder.cpp
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2018-10-02 10:34:08 -04:00 |
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b481af51d6
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add pair_style deprecated and some tweaks for fix style
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2018-10-02 16:26:20 +02:00 |
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