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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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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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e7ca200e97
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Merge pull request #1149 from akohlmey/doc-adjust-bugfix
correct typo in USER-SMD introduced by doc-adjust PR
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2018-10-05 22:21:33 +02:00 |
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8b944e06f0
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Small changes in doc file
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2018-10-05 21:08:18 +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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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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e024658cec
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Merge branch 'doc_cleanup' of https://github.com/jrgissing/lammps into maxspecial_restarts
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2018-10-05 14:15:39 +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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fd20eb93b2
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remove listing of extinct special_bonds 'extra' keyword
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2018-10-04 21:30:34 -06:00 |
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b16a83cddc
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Merge pull request #28 from lammps/master
rebase
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2018-10-04 21:26:22 -06:00 |
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cdea8968c2
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Merge pull request #1143 from athomps/semigrand_issue_1139
Fixed sign error on mu for semigrand variant of fix atom/swap
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2018-10-03 07:42:56 +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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177044cd07
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Merge pull request #1142 from stanmoore1/kk_eam
Fix bug in Kokkos EAM
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2018-10-02 10:28:51 -06:00 |
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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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f81836d605
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reformat compute pressure/cylinder docs and integrate it into the manual
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2018-10-02 11:51:23 -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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b5a5270f4a
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fix typos in compute msd/chunk
as reported by @evoyiatzis the example is incorrect,
but also a mention of the compute a few lines above.
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2018-10-02 16:29:18 +02:00 |
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69c3ff560e
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Clarify restrictions and output
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2018-10-02 10:11:57 -04:00 |
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af5ac6bcdf
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Add NULL pointers to constructor init
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2018-10-02 09:55:37 -04:00 |
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89c0655809
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Add input validation
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2018-10-02 09:46:53 -04:00 |
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3a0cfc1d57
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Modifying headers
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2018-10-02 09:32:26 -04:00 |
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dba8f9c62b
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Merge pull request #1137 from dilkins/fast-forward-langevin
Fast-forward Langevin functionality included in USER-MISC package
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2018-10-02 14:19:37 +02:00 |
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ca3a64ea3e
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fully integrate fix ffl in conventional build processing
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2018-10-02 11:25:39 +02:00 |
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4b4f7d6ee0
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implement conventions for unique links in docs
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2018-10-02 11:25:12 +02:00 |
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66bfdd20d4
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fully integrate fix ffl docs into the manual system
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2018-10-02 11:24:45 +02:00 |
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990a93f9d9
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fix typo in example input
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2018-10-02 10:58:28 +02:00 |
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d5e71e7099
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enumeration of flip types
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2018-10-02 10:41:55 +02:00 |
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14251948f3
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LAMMPS coding conventions
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2018-10-02 10:18:40 +02:00 |
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799ffc58d9
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C++ system headers included and enumeration of flip_int used;documentation corrected
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2018-10-01 17:13:56 +02:00 |
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a333fdac30
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correct some documentation issues with the recently added USER-PTM package
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2018-09-28 18:02:13 +02:00 |
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ffbc33bea5
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Merge branch 'master' into doc-adjust
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2018-09-28 17:07:51 +02:00 |
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12d2dd201a
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update description of RPM based LAMMPS packages with info from @junghans
this fixes #1135
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2018-09-28 15:47:56 +02:00 |
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497af2ebb9
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document eam/cd/old
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2018-09-28 13:44:42 +02:00 |
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