3887b08c1d
update new LAMMPS paper citation info
2021-10-31 18:10:32 -04:00
64764cc7b0
clarify the difference between C++ and Fortran versions of MEAM
2021-10-31 18:10:31 -04:00
adf1beea74
add mechanism to check for known data file section names
...
using this mechanism we can reject custom section names that will
conflict with existing section names and thus avoid misleading errors.
apply this also to fix property atom, where the section name is
determined by the fix ID.
in addition, allow to specify NULL as section name, which will use
the fix ID.
2021-10-28 14:23:27 -04:00
28d86578a3
update version strings for next patch release
2021-10-27 15:26:58 -04:00
1247f4d67b
add function to print information about available compressions tools
2021-10-26 20:00:55 -04:00
f0318fb874
try to make changing LMP_INC settings less confusing to inexperienced people
2021-10-26 19:16:13 -04:00
81a5beb8cc
must not have folders names differing only in case: "MC" versu "mc"
...
This is causing problems on MacOS and Windows with case preserving
but case insensitive file systems.
2021-10-18 18:13:21 -04:00
0e369fb9b5
update example to represent recent style changes.
2021-10-18 13:47:29 -04:00
34d54247b6
Merge branch 'develop' into collected_small_changes
2021-10-13 22:55:21 -04:00
a1572ce9a5
link with -ldl except on Windows for dlopen/dlclose/dlsym support
2021-10-13 22:47:25 -04:00
a1fb6902d5
Merge pull request #2992 from lammps/molswap
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Add a new fix mol/swap command
2021-10-13 21:33:52 -04:00
c5617dc006
fix spelling and make consistent
2021-10-13 19:25:09 -04:00
69a3b5b215
move common init() code into base class. warn when used with fix efield
2021-10-13 18:54:10 -04:00
a922c91c1a
document restrictions to using ReaxFF charge equilibration with fix efield
2021-10-13 18:53:09 -04:00
9cfb822847
Merge branch 'master' of github.com:lammps/lammps into acks2_release
2021-10-13 13:37:04 -06:00
a8f42bd534
tweak to atom/swap doc page
2021-10-12 11:50:04 -06:00
c22dae8d2c
add a new fix
2021-10-12 11:48:26 -06:00
113c53a5da
doc page for new fix mol/swap
2021-10-12 11:45:50 -06:00
9cf6b927cb
Merge branch 'master' into collected-small-changes
...
# Conflicts:
# src/REAXFF/fix_reaxff_species.cpp
2021-10-11 21:24:11 -04:00
96a45224de
whitespace
2021-10-11 21:10:14 -04:00
27c9ba465b
avoid duplication of Accelerator package info in additional doc pages
2021-10-11 16:49:59 -06:00
cb77555fa6
update title in reference to accelerator section
2021-10-11 17:26:24 -04:00
1f4c50037b
Merge branch 'master' into acks2_release
2021-10-11 16:13:20 -04:00
70cbb72e42
Merge branch 'master' into acks2_release
2021-10-11 09:58:44 -04:00
0c57267a85
update branch names
2021-10-10 04:44:45 -04:00
eb6b73c752
update documentation to refer to the new branch names (develop, release)
2021-10-10 04:39:16 -04:00
09bcfc2116
document visual studio support
2021-10-08 15:33:49 -04:00
b5061b69be
add warning to fix reaxff/species to explain the impact of large averaging
2021-10-07 20:46:01 -04:00
6a9bb577cf
rename "zip" functions to "compress" functions. update related docs
2021-10-07 12:38:11 -04:00
059f450f1b
add uppercase string utility function (for symmetry)
2021-10-07 00:00:33 -04:00
a9bccee7b2
add utility to convert a string to lowercase
2021-10-06 17:43:41 -04:00
10a8a1b325
add dlerror() call wrapper
2021-10-06 08:59:51 -04:00
6f2076a9b8
update docs
2021-10-05 22:11:19 -04:00
9f2c5116fa
make lammps and msi2lmp man pages use section 1
2021-10-05 07:35:26 -04:00
dd2b5b22d4
fix saed/vtk does not use the overwrite option anywhere
2021-10-04 17:22:58 -04:00
69a8dfe4d9
whitespace
2021-10-02 18:12:32 -04:00
2dcaa47b0e
unfreeze versions of python packages used to build the documentation
2021-10-02 16:55:19 -04:00
37bfe3d0ce
integrate platform sub-namespace into source code and documentation
...
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
2021-10-02 16:55:11 -04:00
373dbcd9ae
fix typo
2021-10-02 16:40:05 -04:00
35bef7b1d3
unfreeze versions of python packages used to build the documentation
2021-10-02 16:32:58 -04:00
b5b2f5c03c
additional tweak
2021-09-30 17:11:49 -06:00
f20bd63edf
clarify doc pages for thermostatting fixes to mention regions
2021-09-30 16:55:22 -06:00
359aa1d805
Merge branch 'master' into acks2_release
2021-09-30 00:26:25 -04:00
56cd66a6c3
Merge branch 'master' into parse-logical-keyword
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# Conflicts:
# src/H5MD/dump_h5md.cpp
2021-09-29 23:05:59 -04:00
c30ba70fab
Merge pull request #2957 from akohlmey/next_release_version
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Step version strings for stable release
2021-09-29 20:40:00 -04:00
2651e6ec2f
make C library example work with strict C compilers
2021-09-29 10:37:15 -04:00
81d3eb0b2e
add missing keyword
2021-09-29 10:29:09 -04:00
c4616d4a11
Merge pull request #2962 from akohlmey/doc-updates
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A few final updates to the LAMMPS manual
2021-09-27 20:39:06 -04:00
34fe792fad
freeze versions of pip packages for processing the manual of the stable version
...
this way we avoid surprises in case one of the packages get updated
to an incompatible new version. these are know-to-work versions.
2021-09-27 18:31:46 -04:00
913ce25a01
small tweak
2021-09-27 17:13:32 -04:00
