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16052 Commits

Author SHA1 Message Date
Axel Kohlmeyer 952e52982e add comment to indicate code intended for backward compatibility only 2018-11-14 05:37:59 -05:00
Axel Kohlmeyer a942d8b3ba use memset() for clearing of arrays 2018-11-14 05:30:23 -05:00
Axel Kohlmeyer 7a22b8aa62 check only in currently added data file atoms for dihedral overflow 2018-11-14 05:29:26 -05:00
Axel Kohlmeyer 4c1fbc359a use tagint when unpacking atom tags from communication buffers 2018-11-14 05:28:19 -05:00
Axel Kohlmeyer 2c644c5f2e
Merge pull request #1197 from akohlmey/collected-small-fixes 
Collection of small changes and bugfixes for the next release
 2018-11-13 15:18:09 -05:00
Axel Kohlmeyer b1186a971e
Merge pull request #1202 from lammps/hyper 
Add Hyper-dynamics to REPLICA package
 2018-11-13 15:17:30 -05:00
Axel Kohlmeyer 2dbd575a4b
Merge pull request #1203 from stanmoore1/kk_update 
Update Kokkos library in LAMMPS to v2.7.24
 2018-11-13 15:15:09 -05:00
Steve Plimpton 4805e1df22 doc page additions for USER-PLUMED package 2018-11-13 08:29:07 -07:00
Steve Plimpton 380f0e4971 remove some debugging code 2018-11-13 08:06:40 -07:00
Axel Kohlmeyer a026ce9669 correct broken links detected by make mobi 2018-11-12 21:38:26 -05:00
Axel Kohlmeyer 7e779d16de correct broken links in manual reported by 'make html' 2018-11-12 21:33:37 -05:00
Axel Kohlmeyer b776f0f29f remove dead code and silence warnings about unused parameters 2018-11-12 21:11:55 -05:00
Axel Kohlmeyer 443644025f silence compiler warnings 2018-11-12 20:50:14 -05:00
Axel Kohlmeyer c4c90a96ec avoid void return from non-void function 2018-11-12 20:49:01 -05:00
Axel Kohlmeyer 5cb2463204 c++ style include files do not have a .h extension 2018-11-12 20:33:30 -05:00
Axel Kohlmeyer 5a4e44b75a remove accidentally duplicated code 2018-11-12 20:27:21 -05:00
Steve Plimpton 0ca02b6f41 added new commands to doc pages, fixed a few missing entries as well 2018-11-12 17:23:15 -07:00
Stan Moore 2b96dfd6cc Remove deprecated Kokkos code 2018-11-12 15:49:31 -07:00
Stan Moore c22c6e4d34 Add LAMMPS changes to Kokkos Makefile 2018-11-12 15:30:14 -07:00
Stan Moore b2d67bcbb5 Remove tpls dir 2018-11-12 15:18:06 -07:00
Stan Moore b3f08b38a2 Update Kokkos library in LAMMPS to v2.7.24 2018-11-12 15:16:26 -07:00
Axel Kohlmeyer 8e9d4f5bce modify bond style hybrid, so it can handle bond style quartic as a sub-style 2018-11-12 16:06:55 -05:00
Steve Plimpton fe07ad279d added NULL declations to constructor, removed debug code 2018-11-12 12:32:54 -07:00
Steve Plimpton 5062c43aea rename example outputs 2018-11-12 12:32:53 -07:00
Steve Plimpton 90caf0019c fix doc page errors 2018-11-12 12:32:53 -07:00
Steve Plimpton 3b7ebbb8df new hyper examples 2018-11-12 12:32:53 -07:00
Steve Plimpton d7a479d2f6 hyper example dir 2018-11-12 12:32:52 -07:00
Steve Plimpton 0c8ce199af more updates to hyper docs 2018-11-12 12:32:52 -07:00
Steve Plimpton 4a6f088c0b updates to hyper doc pages 2018-11-12 12:32:52 -07:00
Steve Plimpton 56598fcd0b changes to prd command doc page 2018-11-12 12:32:52 -07:00
Steve Plimpton 265c11dca9 more edits to hyper docs 2018-11-12 12:32:52 -07:00
Steve Plimpton d6631266ce doc files in wrong dir 2018-11-12 12:32:52 -07:00
Steve Plimpton fbd610b8a9 global/local hyperdynamics src and doc files 2018-11-12 12:32:52 -07:00
Christoph Junghans 86d1304176 cmake: update doc aobut executables 2018-11-10 18:58:53 -07:00
Axel Kohlmeyer f68d77c7af correct formatting 2018-11-09 08:03:58 -05:00
Axel Kohlmeyer 7a4f534676 replace non-ASCII character 2018-11-09 08:03:41 -05:00
Axel Kohlmeyer 729201ab93 fix typo reported in #1199 2018-11-09 08:03:19 -05:00
Axel Kohlmeyer ab8215a669 remove dead code 2018-11-09 01:09:31 -05:00
Axel Kohlmeyer fe04147ee0 fix typo 2018-11-09 01:09:22 -05:00
Axel Kohlmeyer 62b1159673 update presets for USER-PLUMED package. fix typo. 2018-11-09 01:08:57 -05:00
Axel Kohlmeyer adeb0c2b54 replace faulty preprocessor logic 
fixes #1196
 2018-11-09 01:08:57 -05:00
Axel Kohlmeyer 1651a21f92
Merge pull request #1198 from akohlmey/next-patch-release 
Patch release 9 November 2018
 2018-11-08 20:49:49 -05:00
Axel Kohlmeyer cbae3b5afa
Merge pull request #1184 from DiscreteLogarithm/sdpd 
add USER-SDPD package for Smoothed Dissipative Particle Dynamics
 2018-11-08 17:21:21 -05:00
Axel Kohlmeyer f2a29880e2 patch 9Nov2018 2018-11-08 16:48:43 -05:00
Axel Kohlmeyer e0955f6434 Merge branch 'master' into sdpd to resolve merge conflicts 
# Conflicts:
#	cmake/CMakeLists.txt
#	src/Makefile
 2018-11-08 16:32:02 -05:00
Axel Kohlmeyer 3681bc853d
Merge pull request #1195 from jrgissing/bond/react-custom_edges 
Bond/react: charge update for custom edges
 2018-11-08 16:19:23 -05:00
Axel Kohlmeyer a6e9b99295
Merge pull request #1180 from gtribello/master 
Add natively supported PLUMED interface to LAMMPS
 2018-11-08 16:16:50 -05:00
Axel Kohlmeyer 893a51ce14
Merge pull request #1191 from akohlmey/msi2lmp-avoid-bad-topology 
Dihedral generation bugfix for msi2lmp
 2018-11-08 16:10:31 -05:00
Axel Kohlmeyer 80ee08482c
Merge pull request #1182 from junghans/pkgconfig_doc 
liblammps.pc: add some more documentation
 2018-11-08 16:10:15 -05:00
Axel Kohlmeyer bbb371134d include USER-SDPD package in list of user packages in conventional make 2018-11-06 22:38:02 -05:00