79b84c0847
more thorough checking if BUILD_OMP may be enabled by default. we need the OpenMP runtime, too.
2020-03-22 15:44:28 -04:00
f560cd6dd5
make certain, the molecular flag is always initialized
2020-03-21 01:08:09 -04:00
b533fdb31b
Merge pull request #1952 from lammps/numdiff-doc
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tweak the docs for the new fix numdiff command
2020-03-20 21:36:03 -04:00
c793db66d2
fix style related issues
2020-03-20 14:45:26 -04:00
a8fc2005d4
Merge branch 'master' into feature-cnt
2020-03-20 14:35:57 -04:00
53ccc4c607
fix code related issues
2020-03-20 14:21:24 -04:00
f60a7ace87
Merge pull request #2 from lammps/master
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update the fork to the current state
2020-03-20 14:19:23 -04:00
6563331d6e
rename to LAMMPS_OMP_COMPAT, improve docs
2020-03-20 13:21:21 -04:00
0bedebc083
migrate omp constructs to new macros
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These changes were automatically generated using the script
posted in https://github.com/lammps/lammps/pull/1651#issuecomment-525814475
2020-03-20 12:47:03 -04:00
9a1b4a8edb
Add infrastructure for openmp4 compat
2020-03-20 12:46:24 -04:00
aabee4b328
one more change
2020-03-20 07:27:28 -06:00
9ff71e2da0
fix a typo
2020-03-20 07:26:15 -06:00
8b0e5c66ea
tweak the docs for the new fix numdiff command
2020-03-20 07:23:01 -06:00
54c2381632
Merge pull request #1947 from akohlmey/next_lammps_version
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Step version string for next patch release
2020-03-19 18:57:27 -04:00
68dc62c512
Merge pull request #1932 from akohlmey/atc-doc-to-rst
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Convert AtC documentation html files to reStructuredText
2020-03-19 17:04:35 -04:00
9cfa5506fd
flags may be empty, compiler never, if used
2020-03-19 16:46:46 -04:00
9397a763e2
tweak MinGW preset settings to reduce linker warnings
2020-03-19 16:45:22 -04:00
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
a7f16f521f
Merge branch 'master' into atc-doc-to-rst
2020-03-19 15:55:08 -04:00
fb9b5c6dd0
remove command copying (the now removed) doc/src/USER into some output folders
2020-03-19 15:55:05 -04:00
a541434e0a
cmake: remove hard-coded liblinalg
2020-03-19 13:49:13 -06:00
6644caf817
fix rst formatting issues
2020-03-19 15:48:46 -04:00
223bfac229
remove ATC html files that are no longer needed
2020-03-19 15:44:53 -04:00
a6adf95603
final batch of converted AtC doc files
2020-03-19 15:36:45 -04:00
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
65b6b6f2f8
next batch of converted files
2020-03-19 14:39:00 -04:00
500982ac9c
Merge pull request #1949 from akohlmey/cmake-mingw-portability
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Improved CMake support for cross-compilation with MinGW
2020-03-19 13:54:17 -04:00
61ebf897e4
expand comment about MinGW cross-compiler hack
2020-03-19 13:31:23 -04:00
55b5753eea
next batch of converted files. one more section to go.
2020-03-19 12:22:06 -04:00
84f89134d9
Merge branch 'master' into atc-doc-to-rst
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# Conflicts:
# doc/src/Errors_messages.rst
2020-03-19 11:28:02 -04:00
23509d0785
add missing entries for new pair styles
2020-03-19 11:09:41 -04:00
3d0fc4a112
update docs for updated CMake support with MinGW
2020-03-19 11:09:27 -04:00
38edf20d08
add CMake support for building LAMMPS for windows with MPI
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- 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
b1af0a5bd8
add workaround in CMake support for building with MinGW cross-compilers
2020-03-19 09:00:36 -04:00
3bd529342e
cross-compilation improvements
2020-03-19 09:00:36 -04:00
5fbb1fa331
small tweak to MinGW preset and correct corresponding entry in documentation
2020-03-19 09:00:36 -04:00
6c4a5a95e8
Merge pull request #1862 from akohlmey/restart-consistency
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Add support to detect incomplete restart files and insufficient diskspace conditions
2020-03-19 08:51:57 -04:00
42cff9270c
Merge branch 'master' into restart-consistency
2020-03-19 05:32:45 -04:00
245e200c48
Merge pull request #1945 from akohlmey/collected-small-changes
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Collected small changes
2020-03-19 05:31:22 -04:00
b40bc3993d
Merge branch 'master' into restart-consistency
2020-03-19 00:54:04 -04:00
53bc791b52
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2020-03-19 00:51:30 -04:00
1fd956a696
fix bug when allocating and freeing newly added data structures
2020-03-19 00:51:14 -04:00
9825cd2569
silence compiler warnings
2020-03-19 00:50:30 -04:00
f589cdb8c6
Merge branch 'master' into collected-small-changes
2020-03-19 00:29:08 -04:00
130113927b
add new preset "intel" to enable Intel compilers. Tweak Clang settings
2020-03-19 00:22:41 -04:00
b44d3afafe
next batch of converted files
2020-03-18 23:41:37 -04:00
17dd794514
Merge pull request #1891 from charlessievers/fix_numerical_differentiation
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New fix to compute properties by numerical differences
2020-03-18 23:31:18 -04:00
78a2f86235
whitespace fixes
2020-03-18 23:13:19 -04:00
060e4ff346
integrate fix numdiff into manual and remove bogus false positive from spellcheck
2020-03-18 23:09:43 -04:00
72b70a041d
small tweaks to align fix numdiff with the rest of the manual
2020-03-18 23:04:02 -04:00
