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20773 Commits

Author SHA1 Message Date
Axel Kohlmeyer 1688160669
don't need to force version 2.4.4 of sphinx anymore 2020-04-13 22:55:20 -04:00
Axel Kohlmeyer e09349bc91
update CMake documentation build for recent changes to the html doc build procedure 2020-04-13 22:41:49 -04:00
Axel Kohlmeyer a5059092b3
fix permissions 2020-04-13 22:26:20 -04:00
Axel Kohlmeyer 01d2fae925
Merge pull request #1992 from akohlmey/collected-small-changes 
Recover cross compilation with MinGW
 2020-04-13 21:05:56 -04:00
Axel Kohlmeyer 732ae97083
update version string for next patch release 2020-04-13 20:50:45 -04:00
Axel Kohlmeyer 2321789de0
Merge pull request #1993 from akohlmey/strncmp-update 
Use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
 2020-04-13 20:44:28 -04:00
Axel Kohlmeyer c6fe20d93b
remove obsoleted file 2020-04-13 20:35:06 -04:00
Axel Kohlmeyer 8962da19ca
complete cmake howto 2020-04-13 19:39:00 -04:00
Axel Kohlmeyer 6e4d5fd020
address spelling and other minor issues 2020-04-13 14:34:39 -04:00
Axel Kohlmeyer e9fdc5e84b
rework the debug info section to be more readable and make the options more visible 2020-04-13 14:34:23 -04:00
Axel Kohlmeyer 11b069ffe7
use utils::strmatch() in USER-DPD and KOKKOS for safer style matches 2020-04-13 13:38:38 -04:00
Axel Kohlmeyer 060fa6f68a
Merge branch 'master' into simplify_build_choices 2020-04-13 13:00:38 -04:00
Axel Kohlmeyer 61871c3348
Merge pull request #1979 from ohenrich/user-cgdna 
USER-CGDNA: Introduced capped force in oxDNA-FENE bonds
 2020-04-13 12:59:57 -04:00
Axel Kohlmeyer 6929b3caa3
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-04-13 12:03:27 -04:00
Axel Kohlmeyer 209a3fde71
use MY_PI everywhere, not M_PI. 2020-04-13 12:02:53 -04:00
Axel Kohlmeyer 6c3bb9f511
use MY_PI everywhere, not M_PI. 2020-04-13 11:43:16 -04:00
Axel Kohlmeyer 5d2ec73c5d
re-enable cross-compilation with mingw64 2020-04-13 11:22:19 -04:00
Axel Kohlmeyer 74143a3d89
Merge branch 'master' into simplify_build_choices 2020-04-13 11:02:35 -04:00
Axel Kohlmeyer 4abff7b4d3
Merge pull request #1986 from akohlmey/correct-kokkos-docs 
Update docs and CMake scripts for Kokkos 3.0+
 2020-04-13 11:01:26 -04:00
Axel Kohlmeyer 03634b12df
add missing pair style. Coulombic/Coulombics -> Coulomb for consistency 2020-04-13 10:38:09 -04:00
Axel Kohlmeyer 29f9ca4b54
use list-table and figure to have side-by-side images 2020-04-13 10:30:01 -04:00
julient31 f159c57f08 Adding square roots to inf norm instances in min.cpp 2020-04-13 08:15:59 -06:00
julient31 38343f3c03 C2 JT 041320 
- removing a commented line
 2020-04-13 08:05:06 -06:00
julient31 8fabd79440 Commit JT 041320 
- corrected pair/spin to recover tests
 2020-04-13 07:53:27 -06:00
Oliver Henrich 394c906979 Merge branch 'master' into user-cgdna 2020-04-13 10:40:55 +01:00
Axel Kohlmeyer fbce1a8549
write initial part of CMake tutorial 2020-04-12 21:39:19 -04:00
Axel Kohlmeyer ebf6e23a67
explain error message when using a non-c++11 compliant compiler. 2020-04-12 16:32:40 -04:00
Axel Kohlmeyer 3201213bec
remove tabs 2020-04-12 16:32:16 -04:00
Axel Kohlmeyer 5bb2449ddb
provide info about including debug support in executable and a stack trace debug tutorial 2020-04-12 15:34:00 -04:00
Axel Kohlmeyer 5584bd1106
Update traditional make info and synchronize information provided with CMake version 2020-04-12 11:41:25 -04:00
Axel Kohlmeyer 8b1c6cb279
Merge branch 'omp4-compat' into correct-kokkos-docs 2020-04-12 01:44:47 -04:00
Axel Kohlmeyer 111ceb24cf
Merge branch 'simplify_build_choices' of github.com:akohlmey/lammps into simplify_build_choices 2020-04-12 01:39:47 -04:00
Axel Kohlmeyer 17fdf976b0
must force non-interactive setup 2020-04-12 01:35:41 -04:00
Axel Kohlmeyer 9cf6c72a9c
fix spell-checker issues 2020-04-12 00:36:39 -04:00
Michael Lamparski 82b767f6bd
Merge pull request #1 from akohlmey/omp4-compat 
Update OpenMP 4+ compatibility pull request for LAMMPS
 2020-04-11 22:21:41 -04:00
Axel Kohlmeyer 7b3b77226e
update build overview 2020-04-11 22:20:35 -04:00
Axel Kohlmeyer fa0cc2c217
update singularity definition files 2020-04-11 21:36:08 -04:00
Axel Kohlmeyer 5542ad31dc
Merge branch 'master' into simplify_build_choices 
# Conflicts:
#	cmake/Modules/Packages/GPU.cmake
 2020-04-11 21:31:07 -04:00
Axel Kohlmeyer d6624fe444
Merge pull request #1863 from Vsevak/gpu_hip 
HIP back end to GPU package to support AMD GPUs via the ROCm toolkit
 2020-04-11 21:14:45 -04:00
Axel Kohlmeyer 2edc6939a8
update and correct docs for OpenMP 3.x vs OpenMP 4.x and how to work around it. 2020-04-11 18:51:10 -04:00
Axel Kohlmeyer 3fa7265ff8
modernize CMake script code and add version tests for Clang and Intel to switch to OpenMP4 semantics 2020-04-11 18:35:37 -04:00
Axel Kohlmeyer 7a16567e2a
better version info output with intel compilers 2020-04-11 18:34:37 -04:00
Axel Kohlmeyer 4acdd161f0
Merge pull request #1937 from jibril-b-coulibaly/fixadapt 
fix adapt: implement scale keyword for diameter/charge and 2d compatibility
 2020-04-11 17:31:13 -04:00
Axel Kohlmeyer 832cb57d91
Merge branch 'master' into fixadapt 
# Conflicts:
#	doc/src/fix_adapt.rst
 2020-04-11 16:24:13 -04:00
Axel Kohlmeyer 35bb597747
fix some whitespace issues: replace tabs with spaces, remove DOS/Windows style CR-LF 2020-04-11 16:11:27 -04:00
Axel Kohlmeyer 15314e3c95
Merge branch 'patch-1' of github.com:LunarLanding/lammps into correct-kokkos-docs 2020-04-11 15:41:14 -04:00
Axel Kohlmeyer 8407a77893
add text segments removed from other pages. 2020-04-11 12:43:50 -04:00
Axel Kohlmeyer d50013ed16
complete rewrite of the CMake build overview page 2020-04-11 12:43:31 -04:00
Axel Kohlmeyer 15c89c388b
add link target 2020-04-11 12:43:00 -04:00
LunarLanding 60910e64f1
Fix typo in latex formula (cosine was not squared) 
What the title says; I am assuming it is squared in the implementation.
 2020-04-11 17:17:48 +01:00