8ab5f3c71a
adjust recently added/expanded tests so they skip tests when packages are missing
2020-10-13 15:42:21 -04:00
d0ac698a41
must not assume that size_one == nfield in DumpCustom since DumpVTK changes it
...
this changes all loops over format strings and output types to using nfield
2020-10-13 15:28:02 -04:00
e23774ed56
include "pointers.h" to avoid include file name conflicts when compiling with USER-VTK enabled
2020-10-13 15:26:38 -04:00
8920830909
utils.h is not needed (globally included via pointer.h)
2020-10-13 15:25:46 -04:00
338b05d9dd
set only build type specific compiler flags, so using -DCMAKE_CXX_FLAGS will work as expected
2020-10-13 12:00:03 -04:00
60a296fea8
small tweaks
2020-10-12 23:51:00 -04:00
49afab09a5
Building LAMMPS for Windows with the MinGW cross compiler is supported with CMake only
2020-10-12 23:49:40 -04:00
61381ad821
Use User's Guide and Programmer's Guide. Normalize header level formatting
2020-10-12 23:31:03 -04:00
ed885847a3
expose document and test more atom style property flags
2020-10-12 20:24:21 -04:00
a684f896de
rearrange doxygen docs for lammps_extract_settings() and lammps_extract_global()
...
this replaces two large tables whith multiple small tables that group
parameters by similar context
2020-10-12 18:59:35 -04:00
9bdae2b5c0
move installed packages summary to a different location further down in the output
2020-10-12 18:04:19 -04:00
1d7fa39bc2
don't print a message for each generated style/package header file
2020-10-12 17:10:38 -04:00
a97e632bb0
make enabled packages report more compact
2020-10-12 17:10:04 -04:00
ec4eab5061
CMake change requested by @junghans
2020-10-12 15:21:08 -04:00
24cec51e85
add tests for using python invoke and python style variables
2020-10-12 06:17:16 -04:00
8c5da70823
handle the case where the variable type is invalid and thus a null pointer is returned
2020-10-12 06:16:28 -04:00
6cda1e16ae
add test program template for testing the PYTHON package
2020-10-12 02:40:02 -04:00
c01ff34785
we must initialize the number of types with any "extra" values
...
so far, the "extra" value will only be applied if the "types" line is
present in the header. if not, the "extra" value is ignored. now will
first apply this and then lets it be overwritten in case a "types" line
is present in the header.
2020-10-11 23:26:35 -04:00
a6df6cf84c
fix format
2020-10-11 23:18:03 -04:00
a82c0a58af
improve error message
2020-10-11 23:17:46 -04:00
44549ba81d
replace doc page with page or other appropriate text
2020-10-11 12:19:38 -04:00
4908a53612
correct example to include '=on' for package selection with CMake
2020-10-11 12:19:21 -04:00
3396897438
document both, CMake and traditional procedure to enable MPIIO
2020-10-11 12:18:26 -04:00
b3d9f648ef
Merge pull request #2414 from akohlmey/next_lammps_version
...
Update version strings for next patch release
2020-10-09 20:12:56 -04:00
0460dc3dfb
Merge pull request #2413 from akohlmey/progguide-updates
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More Programmer Guide and Library Interface updates for next release
2020-10-09 19:30:37 -04:00
51489c1509
dedup anchor
2020-10-09 17:29:31 -04:00
97964604c6
no point in trying a static link of executables
2020-10-09 13:29:13 -04:00
362fe700a5
remove static libraries for cross-compiler. not used with .dll version.
2020-10-09 13:26:52 -04:00
43f2c14c8b
print warning when reading data files with non-zero image flags for non-periodic boundaries
2020-10-09 13:24:53 -04:00
57e0e64ffe
No MPI communicaton after MPI_Finalize() and no MPI_Finalize() unless we are initialized.
2020-10-09 12:47:13 -04:00
078f931393
add comment to explain using the LAMMPS_LIB_MPI define in example
2020-10-09 11:50:53 -04:00
84c9fcf6e9
add legacy warning to F77 style Fortran wrapper
2020-10-09 11:15:15 -04:00
74e1d0f8cf
move Tools compilation script code from CMakeLists.txt to separate Tools.cmake file
2020-10-09 11:15:00 -04:00
5457accb3d
make the legacy fortran wrapper work (again)
2020-10-09 07:52:36 -04:00
ca3d10fa39
need to define LAMMPS_LIB_MPI
2020-10-09 07:37:25 -04:00
bafba4235c
include versionadded tags
2020-10-09 07:26:01 -04:00
188e1c3828
correct versionadded dates
2020-10-09 07:22:16 -04:00
38bf231361
silence sphinx warning
2020-10-09 07:19:02 -04:00
471acb2ef8
add unit tests for added APIs
2020-10-09 07:16:34 -04:00
7a9b4ef0d4
include FFTW in MinGW cross-compiler libraries. Make static/dynamic explicit
2020-10-09 02:27:31 -04:00
eb3992a69a
enable static linkage for executables when cross-compiling with MinGW
2020-10-09 02:26:46 -04:00
bfcb78d5d7
fix bug with string passing
2020-10-09 01:42:48 -04:00
5a207247b6
update version strings for next patch release
2020-10-09 01:12:41 -04:00
6d67fa004c
tweak formulation
2020-10-08 23:35:49 -04:00
90d511bc86
add wrappers for new library functions
2020-10-08 22:32:33 -04:00
49ebc5ac40
update versionadded date
2020-10-08 22:32:08 -04:00
5c6bfa6ab5
Merge branch 'master' into progguide-axel
2020-10-08 21:51:22 -04:00
a581b4b85e
Merge pull request #2412 from lammps/progguide-updates
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Updates to the Programmer Guide part of the Manual
2020-10-08 21:50:37 -04:00
4f4bc427ae
implement LAMMPS_LIB_NO_MPI to LAMMPS_LIB_MPI change
2020-10-08 21:50:15 -04:00
9f0002550e
Merge pull request #2404 from akohlmey/fortran-portable-string
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Make f2c_string utility function of the new Fortran module portable across Fortran compilers
2020-10-08 20:58:51 -04:00
