c29474c533
Merge pull request #2443 from akohlmey/next_lammps_version
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Step version strings for next release
2020-10-22 18:11:33 -04:00
c7a10050c2
Merge pull request #2439 from akohlmey/collected-small-changes
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Collected small changes for the next release
2020-10-22 17:23:49 -04:00
9bc3ccd49a
fix misplaced "#endif"
2020-10-22 15:45:24 -04:00
5ff0dbb431
step version strings for next patch release (and stable release candidate)
2020-10-22 15:36:58 -04:00
fcd442d751
simplify code. print warnings only on MPI rank 0. update parameter names
2020-10-22 15:35:45 -04:00
68b533d1b8
correct order of functions
2020-10-22 14:59:55 -04:00
bcf5abccb5
reorder functions in library.h and library.cpp to match order in manual
2020-10-22 12:11:42 -04:00
6b2a98b537
ad few more manual updates of outdated, mistyped or no longer available URLs
2020-10-21 17:19:33 -04:00
f8bf4989f4
update URLs from http:// to https://
2020-10-21 17:04:23 -04:00
a914a3aac2
update outdated URLs
2020-10-21 17:03:46 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
cc90596183
fix link to documentation
2020-10-21 10:49:01 -04:00
56cecf2c3a
small tweaks: avoid overflow and add missing newline
2020-10-19 15:46:33 -04:00
4b2fd65585
fix issue where a variable was used before it was assigned.
2020-10-19 15:46:03 -04:00
89842fc7c4
Merge pull request #2418 from akohlmey/collected-small-changes
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Collected small changes and bugfixes for the stable release
2020-10-14 17:45:10 -04:00
28641bcbc7
Merge pull request #2402 from ndtrung81/gpu-dpd
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Allowed dpd/tstat/gpu and dpd/gpu to work together in pair style hybrid
2020-10-14 17:18:02 -04:00
18091f15e0
Merge branch 'master' into collected-small-changes
2020-10-14 13:11:30 -04:00
587be7a21a
Remove makefiles for obsolete machines and configurations or that are redundant
2020-10-14 07:54:07 -04:00
89d60afb91
make certain alpha_final is initialized
2020-10-14 04:51:51 -04:00
d0ac698a41
must not assume that size_one == nfield in DumpCustom since DumpVTK changes it
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this changes all loops over format strings and output types to using nfield
2020-10-13 15:28:02 -04:00
8920830909
utils.h is not needed (globally included via pointer.h)
2020-10-13 15:25:46 -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
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()
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this replaces two large tables whith multiple small tables that group
parameters by similar context
2020-10-12 18:59:35 -04:00
c01ff34785
we must initialize the number of types with any "extra" values
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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
b3d9f648ef
Merge pull request #2414 from akohlmey/next_lammps_version
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Update version strings for next patch release
2020-10-09 20:12:56 -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
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
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
4a856148ad
Merge pull request #2389 from kateryna-goloviznina/coul_tt
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Pair style for charge-dipole damping with Tang-Toennies function
2020-10-08 19:47:36 -04:00
0891a8ce7d
better MPI version detection.
2020-10-07 18:37:09 -04:00
50bfb9142d
add library API to print OS/Compiler info (for use with LAMMPS shell)
2020-10-07 18:35:59 -04:00
57cc8d6290
fix incorrectly formatted "notes"
2020-10-07 18:35:05 -04:00
1098ca8749
add some more explanation about exceptions from the library interface perspective
2020-10-07 13:08:49 -04:00
e637c150ba
add versionadded tags
2020-10-07 13:08:25 -04:00
355c68f304
Merge branch 'master' into progguide-axel
2020-10-06 21:40:43 -04:00
f0f933a711
allow forward slash in strings for if statements
2020-10-06 18:44:26 -04:00
fb1dab6098
Merge branch 'master' into collected-small-fixes
2020-10-06 18:00:33 -04:00
1ee9e4eabd
Merge branch 'master' into progguide-axel
2020-10-06 17:11:47 -04:00
18023ad9dc
Update fix_wall_gran_region.cpp
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Don't store atom tag, just if there is a contact.
Fixes #2306
2020-10-06 10:39:14 -04:00
80a054471d
Merge branch 'progguide-updates' into progguide-richard
2020-10-05 19:31:03 -04:00
0fb91ec755
Merge pull request #2408 from akohlmey/lammps-shell
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Add a LAMMPS shell tool as alternative to the LAMMPS executable for interactive use
2020-10-05 14:42:23 -04:00
d9f7ddfd6d
Merge pull request #2409 from mrcdr/math_eigen_impl
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PR to relate "math_eigen_impl.h" with an author
2020-10-05 14:07:09 -04:00
