jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
20,201 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

20201 Commits

Author SHA1 Message Date
Christoph Junghans 62cb760ee2 cmake: remove LIB_SOURCES and LMP_SOURCES 2020-03-22 14:42:29 -06:00
Axel Kohlmeyer b533fdb31b
Merge pull request #1952 from lammps/numdiff-doc 
tweak the docs for the new fix numdiff command
 2020-03-20 21:36:03 -04:00
Steve Plimpton aabee4b328 one more change 2020-03-20 07:27:28 -06:00
Steve Plimpton 9ff71e2da0 fix a typo 2020-03-20 07:26:15 -06:00
Steve Plimpton 8b0e5c66ea tweak the docs for the new fix numdiff command 2020-03-20 07:23:01 -06:00
Axel Kohlmeyer 54c2381632
Merge pull request #1947 from akohlmey/next_lammps_version 
Step version string for next patch release
 2020-03-19 18:57:27 -04:00
Axel Kohlmeyer 68dc62c512
Merge pull request #1932 from akohlmey/atc-doc-to-rst 
Convert AtC documentation html files to reStructuredText
 2020-03-19 17:04:35 -04:00
Axel Kohlmeyer 9cfa5506fd
flags may be empty, compiler never, if used 2020-03-19 16:46:46 -04:00
Axel Kohlmeyer 9397a763e2
tweak MinGW preset settings to reduce linker warnings 2020-03-19 16:45:22 -04:00
Axel Kohlmeyer 87ac0dc547
Merge commit 'refs/pull/1950/head' of github.com:lammps/lammps into atc-doc-to-rst 2020-03-19 16:08:18 -04:00
Axel Kohlmeyer a7f16f521f
Merge branch 'master' into atc-doc-to-rst 2020-03-19 15:55:08 -04:00
Axel Kohlmeyer fb9b5c6dd0
remove command copying (the now removed) doc/src/USER into some output folders 2020-03-19 15:55:05 -04:00
Christoph Junghans a541434e0a cmake: remove hard-coded liblinalg 2020-03-19 13:49:13 -06:00
Axel Kohlmeyer 6644caf817
fix rst formatting issues 2020-03-19 15:48:46 -04:00
Axel Kohlmeyer 223bfac229
remove ATC html files that are no longer needed 2020-03-19 15:44:53 -04:00
Axel Kohlmeyer a6adf95603
final batch of converted AtC doc files 2020-03-19 15:36:45 -04:00
Axel Kohlmeyer 53883ec077
Merge branch 'atc-doc-to-rst' of github.com:akohlmey/lammps into atc-doc-to-rst 2020-03-19 14:39:15 -04:00
Axel Kohlmeyer 65b6b6f2f8
next batch of converted files 2020-03-19 14:39:00 -04:00
Axel Kohlmeyer 500982ac9c
Merge pull request #1949 from akohlmey/cmake-mingw-portability 
Improved CMake support for cross-compilation with MinGW
 2020-03-19 13:54:17 -04:00
Axel Kohlmeyer 61ebf897e4
expand comment about MinGW cross-compiler hack 2020-03-19 13:31:23 -04:00
Axel Kohlmeyer 55b5753eea
next batch of converted files. one more section to go. 2020-03-19 12:22:06 -04:00
Axel Kohlmeyer 84f89134d9
Merge branch 'master' into atc-doc-to-rst 
# Conflicts:
#	doc/src/Errors_messages.rst
 2020-03-19 11:28:02 -04:00
Axel Kohlmeyer 23509d0785
add missing entries for new pair styles 2020-03-19 11:09:41 -04:00
Axel Kohlmeyer 3d0fc4a112
update docs for updated CMake support with MinGW 2020-03-19 11:09:27 -04:00
Axel Kohlmeyer 38edf20d08
add CMake support for building LAMMPS for windows with MPI 
- Handle the MPI support as an External project.
- Also we can enable a few more packages now, that depend on MPI
- Improved dependency tracking for parallel builds
- cross compiler build can now also work with ninja
 2020-03-19 10:46:42 -04:00
Axel Kohlmeyer b1af0a5bd8
add workaround in CMake support for building with MinGW cross-compilers 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 3bd529342e
cross-compilation improvements 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 5fbb1fa331
small tweak to MinGW preset and correct corresponding entry in documentation 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 6c4a5a95e8
Merge pull request #1862 from akohlmey/restart-consistency 
Add support to detect incomplete restart files and insufficient diskspace conditions
 2020-03-19 08:51:57 -04:00
Axel Kohlmeyer 42cff9270c
Merge branch 'master' into restart-consistency 2020-03-19 05:32:45 -04:00
Axel Kohlmeyer 245e200c48
Merge pull request #1945 from akohlmey/collected-small-changes 
Collected small changes
 2020-03-19 05:31:22 -04:00
Axel Kohlmeyer b40bc3993d
Merge branch 'master' into restart-consistency 2020-03-19 00:54:04 -04:00
Axel Kohlmeyer 53bc791b52
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-03-19 00:51:30 -04:00
Axel Kohlmeyer 1fd956a696
fix bug when allocating and freeing newly added data structures 2020-03-19 00:51:14 -04:00
Axel Kohlmeyer 9825cd2569
silence compiler warnings 2020-03-19 00:50:30 -04:00
Axel Kohlmeyer f589cdb8c6
Merge branch 'master' into collected-small-changes 2020-03-19 00:29:08 -04:00
Axel Kohlmeyer 130113927b add new preset "intel" to enable Intel compilers. Tweak Clang settings 2020-03-19 00:22:41 -04:00
Axel Kohlmeyer b44d3afafe
next batch of converted files 2020-03-18 23:41:37 -04:00
Axel Kohlmeyer 17dd794514
Merge pull request #1891 from charlessievers/fix_numerical_differentiation 
New fix to compute properties by numerical differences
 2020-03-18 23:31:18 -04:00
Axel Kohlmeyer 78a2f86235
whitespace fixes 2020-03-18 23:13:19 -04:00
Axel Kohlmeyer 060e4ff346
integrate fix numdiff into manual and remove bogus false positive from spellcheck 2020-03-18 23:09:43 -04:00
Axel Kohlmeyer 72b70a041d
small tweaks to align fix numdiff with the rest of the manual 2020-03-18 23:04:02 -04:00
Axel Kohlmeyer 71582c99ca
rearrange pointer variables to a more logical location, quell compiler warning and initialize all pointer 2020-03-18 22:51:16 -04:00
Axel Kohlmeyer 842fe150eb
update coul/slater docs to align with recent changes in upstream 2020-03-18 21:07:57 -04:00
Axel Kohlmeyer 7ee63a0025
small spelling update 2020-03-18 21:02:40 -04:00
Axel Kohlmeyer 2714fad178
Merge branch 'master' into collected-small-changes 
# Conflicts:
#	doc/src/Build_development.rst
 2020-03-18 20:59:16 -04:00
Axel Kohlmeyer 164bf1b60e
Merge pull request #1883 from evoyiatzis/master 
Coulomb pair style with smeared out charges (coul/slater)
 2020-03-18 20:52:47 -04:00
Axel Kohlmeyer 2b39c9968f
Merge pull request #1913 from jrgissing/molecule_template_moleculeIDs 
Molecule template: molecule-IDs and fragments
 2020-03-18 20:31:29 -04:00
Axel Kohlmeyer 3e36acc533
Merge branch 'master' into restart-consistency 
# Conflicts:
#	doc/src/fix_halt.rst
 2020-03-18 20:30:00 -04:00
Axel Kohlmeyer a569027a14
trip some excess padding to make the pages waste less space on small screens 2020-03-18 20:25:26 -04:00