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15739 Commits

Author SHA1 Message Date
jrgissing b05aa62c49 correctly exclude atoms from simultaneous competing reactions 2018-08-25 15:46:48 -06:00
Jacob Gissinger c471902db1
Merge pull request #23 from lammps/master 
rebase
 2018-08-24 22:23:36 -06:00
Steven J. Plimpton c477129165 real <-> metal unit conversion factors 2018-08-24 16:17:07 -06:00
Christoph Junghans 9ed6d0a9d1 cmake: sort package in header 2018-08-24 15:27:15 -06:00
Daniel Schwen 38a998c03c Fix misc. warnings (#1076) 2018-08-24 14:58:28 -06:00
Christoph Junghans 0661a800a7 lammps.1: add options block 2018-08-24 14:57:49 -06:00
Steven J. Plimpton c01fb5f701 new loop structure in pair ATM 2018-08-24 14:33:06 -06:00
Steven J. Plimpton d8b087aeb4 docs for MD protocol enhancements 2018-08-24 11:11:34 -06:00
Steven J. Plimpton 735ec9de0b more general MD c/s protocol 2018-08-24 10:53:05 -06:00
Daniel Schwen 92a4dc25b1 Fix unused params in packages (#1076) 2018-08-24 10:42:08 -06:00
Daniel Schwen 19976bb94f Fixup conditionally used params (#1076) 2018-08-24 10:42:08 -06:00
Daniel Schwen 7a2cb10864 Remove unused variable (#1076) 2018-08-24 10:42:08 -06:00
Daniel Schwen fd6792c6be Fix unused params in GRANULAR (#1076) 2018-08-24 10:42:08 -06:00
Daniel Schwen 1abeec3a43 Fix initialization order (#1076) 2018-08-24 10:42:08 -06:00
Steven J. Plimpton 33d5fe457c re-merge with current master 2018-08-24 09:57:08 -06:00
Steven J. Plimpton 44bda245a6 resolution of cutoff issues 2018-08-24 09:36:39 -06:00
Steve Plimpton 413fdbbf23
Merge pull request #1080 from junghans/as-needed-fix 
cmake: fix link issue with --as-needed
 2018-08-24 08:16:50 -06:00
Steve Plimpton 1c4d68a92e
Merge pull request #1074 from akohlmey/more-doc-fixes 
Add conversion from ePUB to MOBI e-book format to doc Makefile
 2018-08-24 08:16:01 -06:00
Christoph Junghans bd1e89ac4c lammps.1: use -in syntax 2018-08-24 06:55:59 -06:00
Christoph Junghans e1ef158b36 cmake: rename manpage when installing 2018-08-24 06:52:50 -06:00
Christoph Junghans 9b4f7090d3 cmake: install manpage, too 2018-08-23 19:19:03 -06:00
Christoph Junghans 3622cb9b28 lammps.1: some update 2018-08-23 19:16:41 -06:00
Christoph Junghans a10bb4b96f cmake: fix link issue with --as-needed 2018-08-23 15:02:36 -06:00
Christoph Junghans 9eacabd821 added manpage from debian package 2018-08-23 14:43:31 -06:00
Daniel Schwen e9bc939098 Fix more unused parameter warnings (#1076) 2018-08-23 12:22:44 -06:00
Daniel Schwen 7238d4af94 Fix logic warnings (#1076) 2018-08-23 10:08:36 -06:00
Rene Halver 2eeb8cecb2 removed left-over debug messages 2018-08-23 10:08:31 -06:00
Daniel Schwen 9388ed8cd0 Add build files and clang-format config to gitignore (#1076) 2018-08-23 09:25:20 -06:00
Daniel Schwen dd923edf15 Fix unused parameters in memory.h (#1076) 2018-08-23 09:20:02 -06:00
Axel Kohlmeyer 59d3af44f2 use c++ style system headers 2018-08-23 10:27:51 -04:00
Axel Kohlmeyer a04008cdfd fully integrate atm pair style into manual 2018-08-23 10:27:40 -04:00
Axel Kohlmeyer 648d8c3d2a adapt docs to refactored manual 2018-08-23 10:15:17 -04:00
Axel Kohlmeyer c5d3274222 restore files 2018-08-23 10:13:06 -04:00
Axel Kohlmeyer 4f36f077ff whitespace cleanup 2018-08-23 10:08:36 -04:00
Axel Kohlmeyer 929185da07 Merge branch 'master' into axilrod-teller 
# Conflicts:
#	cmake/CMakeLists.txt
#	doc/src/Commands.txt
#	doc/src/Commands_bond.txt
#	doc/src/Howto.txt
#	doc/src/Howto_bioFF.txt
#	doc/src/Howto_coreshell.txt
#	doc/src/Howto_couple.txt
#	doc/src/Howto_diffusion.txt
#	doc/src/Howto_dispersion.txt
#	doc/src/Howto_granular.txt
#	doc/src/Howto_library.txt
#	doc/src/Howto_multiple.txt
#	doc/src/Howto_replica.txt
#	doc/src/Howto_restart.txt
#	doc/src/Howto_temperature.txt
#	doc/src/Howto_tip4p.txt
#	doc/src/Intro.txt
#	doc/src/Intro_authors.txt
#	doc/src/Intro_features.txt
#	doc/src/Intro_nonfeatures.txt
#	doc/src/Manual.txt
#	doc/src/Manual_version.txt
#	doc/src/Packages.txt
#	doc/src/Packages_details.txt
#	doc/src/Packages_standard.txt
#	doc/src/Packages_user.txt
#	doc/src/Section_start.txt
#	doc/src/Speed.txt
#	doc/src/Speed_compare.txt
#	doc/src/Speed_gpu.txt
#	doc/src/Speed_intel.txt
#	doc/src/Speed_kokkos.txt
#	doc/src/Speed_measure.txt
#	doc/src/Speed_omp.txt
#	doc/src/Speed_opt.txt
#	doc/src/Speed_packages.txt
#	doc/src/Speed_tips.txt
#	doc/src/fix_deform.txt
#	doc/src/fix_external.txt
#	doc/src/fix_property_atom.txt
#	doc/src/lammps.book
#	doc/src/neb.txt
#	doc/src/pair_eam.txt
#	doc/src/prd.txt
#	doc/src/run_style.txt
#	doc/src/temper.txt
#	src/version.h
 2018-08-23 10:06:47 -04:00
Axel Kohlmeyer 440338d769 last round of spelling fixes 2018-08-22 22:35:35 -04:00
Axel Kohlmeyer af35c3bcca atomID -> atom-ID 2018-08-22 22:28:53 -04:00
Axel Kohlmeyer c0d9d96e09 better help message in make file 2018-08-22 22:24:51 -04:00
Axel Kohlmeyer 0cd71ee582 more false positives 2018-08-22 22:18:35 -04:00
Axel Kohlmeyer b00046fd34 fix typo 2018-08-22 22:18:27 -04:00
Axel Kohlmeyer 4b2629d8ba recompile/recompute/reinit -> re-compile/re-compute/re-init 2018-08-22 22:18:16 -04:00
Axel Kohlmeyer 193f46dd9f spelling fix 2018-08-22 22:04:03 -04:00
Axel Kohlmeyer 96bde51ae4 autodetect -> auto-detect 2018-08-22 22:03:53 -04:00
Axel Kohlmeyer 683c87347c neighborlist -> neighbor list 2018-08-22 22:02:24 -04:00
Axel Kohlmeyer fe6debfe9a precompiled -> pre-compiled 2018-08-22 22:02:01 -04:00
Axel Kohlmeyer 9a8c09288f use Hyper-Threading consistently 2018-08-22 21:54:41 -04:00
Axel Kohlmeyer eca0487daf subdomain -> sub-domain 2018-08-22 21:50:56 -04:00
Axel Kohlmeyer 4278a284e4 fix one more broken link 2018-08-22 21:48:42 -04:00
Axel Kohlmeyer 5da714bcc8 fix another source of broken links inserted into processed files 2018-08-22 21:33:40 -04:00
Axel Kohlmeyer 2d6d635ce0 update list of false positives 2018-08-22 21:30:40 -04:00