6cb120d691
get rid of "using" in USER-REAXC header
2019-04-02 23:20:53 -04:00
a149fdb420
forgot MESSAGE package in all_on/off.cmake preset
2019-04-02 23:19:37 -04:00
b1070f4703
must add USER-SCAFACOS to nolib.cmake preset, as it requires GSL
2019-04-02 23:10:59 -04:00
778537e734
update micelle example for improved reproducibility
2019-04-02 22:32:15 -04:00
921d3dadf8
Merge pull request #1400 from akohlmey/collected-small-changes
...
Refactor USER-INTEL support in CMake and support Linux-2-Windows cross-compiling with CMake
2019-04-02 17:48:21 -04:00
bd923d8bd4
fix second typo in the same word. i need a break... :-(
2019-04-02 17:33:35 -04:00
6411ff8359
transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration
2019-04-02 17:25:26 -04:00
4a003644fe
fix typo
2019-04-02 16:41:02 -04:00
365166fef0
print warning messages about calls to self only once
2019-04-02 16:01:42 -04:00
34b023456b
add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions
2019-04-02 15:28:48 -04:00
978b52ee8c
add warning/status messages about skipping TBB malloc and MKL RNG
2019-04-02 15:06:56 -04:00
98bd720c68
improved formatting of cmake settings and presets related docs
2019-04-02 14:56:51 -04:00
4824992a1e
update documentation for recent changes to CMake presets
2019-04-02 14:31:13 -04:00
5a75125426
add some popular packages requiring libraries to most.cmake preset
2019-04-02 14:30:34 -04:00
cb5c3f900e
add minimal.cmake and most.cmake presets
2019-04-02 12:41:12 -04:00
74ce164457
restore lost edit to all_on.cmake and all_off.cmake that syncs the list of packages
2019-04-02 12:06:51 -04:00
3eab343821
give access to LAMMPS object and wrap in macros for optional exception handling
2019-04-02 11:49:08 -04:00
fd7c680654
the lammps_gather_atom*() and lammps_scatter_atom() library functions are not compatible with -DLAMMPS_BIGBIG. divert to dummy functions resulting in error exists.
2019-04-02 11:39:46 -04:00
764fb2522b
abort already in cmake when including USER-INTEL with -DLAMMPS_BIGBIG
2019-04-02 11:21:25 -04:00
ef184c9b1b
remove presets, that try to mimic settings from the conventional build, but make little sense with cmake
2019-04-02 09:34:03 -04:00
0ab65c0343
update docs for building LAMMPS for windows
2019-04-02 07:12:55 -04:00
800f3a81b1
update documentation for changes in USER-INTEL support in CMake
2019-04-02 06:59:19 -04:00
91f3a94851
fix typo in docs
2019-04-02 05:49:25 -04:00
d1cb8970d5
fix elstop: Remove unused includes
2019-04-02 09:29:27 +03:00
d3ea115436
Tweaks to doc page
2019-04-01 22:13:49 -06:00
c044eeb482
update nolib.cmake and change it so it disables all packages requiring some external library or equivalent
2019-04-01 22:23:36 -04:00
2fc7395c14
add some comments to updated all-on / all-off presets
2019-04-01 22:22:31 -04:00
719a74a02f
must include omp.h header when using OpenMP API functions
2019-04-01 22:10:55 -04:00
b1badb6555
update all-on and all-off presets for recently added and removed packages
2019-04-01 22:09:58 -04:00
0b8332cedf
Commit2 JT 040119
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- improved verbose output
- work on examples
2019-04-01 17:52:59 -06:00
200aa2d06f
missed a few packages in cross-compiler preset
2019-04-01 18:50:53 -04:00
3a0b108f91
reformat
2019-04-01 18:22:06 -04:00
677974573a
Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
2019-04-01 16:12:11 -06:00
76b848bb0a
include USER-INTEL, but need to disable support for LRT mode
2019-04-01 17:58:19 -04:00
a0e5d14990
Commit JT 040119
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- corrected tangent vector projection
- output verbose (Gradidottan)
2019-04-01 15:53:36 -06:00
35129c0881
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
2019-04-01 17:51:53 -04:00
70ae5f41e3
tweaks for compiling USER-INTEL in cpu mode on Windows with GCC
2019-04-01 17:46:25 -04:00
a7bb772db7
Merge branch 'refactor-user-intel-cmake' into collected-small-changes
2019-04-01 17:39:43 -04:00
8d8f0af7a6
add download flags to mingw preset
2019-04-01 17:38:53 -04:00
d5aa60dbfe
skip inline function optimizations for windows when compiling with mingw
2019-04-01 17:23:27 -04:00
b7aecc0d59
avoid linking with -ldl on windows, as it is not needed or supported
2019-04-01 17:22:53 -04:00
799c16a8b2
restore a removed check + print some warnings only once
2019-04-01 17:04:09 +02:00
adbc64b45e
Cleaning includes + changing error->all to error->one
2019-04-01 16:34:34 +02:00
2e7316a9e3
fix another windows portability issue in USER-PTM by adding missing header include
2019-04-01 08:11:22 -04:00
a8e5af3cb4
fix elstop: Inline kinetic energy computation
2019-04-01 12:59:25 +03:00
053bdea234
fix elstop: Use inline LaTeX for equation
2019-04-01 12:27:50 +03:00
7688ead60f
add pair style granular to pair style overview page in manual
2019-04-01 04:42:56 -04:00
61d4b7a47f
Add Kai as spelling false positive
2019-04-01 09:14:47 +03:00
3bf4cd9c01
major refactor of USER-INTEL support in CMake
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- decouple from USER-OMP
- decouple from OpenMP support
- make MKL and TBB optional
- support compilers other than Intel (but print warning about bad performance)
- expose Long-range thread support selection to CMake
- fix bugs and typos and add missing code, so that it actually compiles and includes all styles
2019-03-31 17:17:07 -04:00
4d3c1785c6
add utility function to add custom integrate style
2019-03-31 17:12:11 -04:00
