20f80dcb46
edits to doc pages
2021-11-19 15:35:36 -07:00
c4330298e1
enforce unique labels when using labelmap command
2021-11-15 23:24:57 -05:00
3fc47a9366
read_data: bond, etc. direct label support
2021-11-07 00:51:55 -04:00
a7a8581662
write_data: directly replace types w labels
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allow direct replacement of numeric atom types in Atoms sections with type labels, using new keyword
2021-11-05 23:03:55 -04:00
8d4956046b
Merge branch 'develop' of https://github.com/lammps/lammps into lammps-develop
2021-11-04 21:20:29 -04:00
935c17f02e
Document multi-configuration build support in CMake
2021-11-04 16:32:21 -04:00
6479116419
Merge branch 'develop' into multi-config-support
2021-11-02 16:39:12 -04:00
515ef7bece
Merge pull request #3015 from lammps/dump-image-doc
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Move dump_modify options specific to image/movie to dump image doc page
2021-11-02 13:22:27 -07:00
b044a2f88b
switch to https protocol for cloning MathJax
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https://github.blog/2021-09-01-improving-git-protocol-security-github/
2021-11-02 15:26:45 -04:00
91e6586e05
reorder
2021-11-02 14:35:36 -04:00
817e38fe68
change references to git:// protocol for accessing github to https://
2021-11-02 14:33:21 -04:00
278e531c14
fix typo
2021-11-02 14:33:00 -04:00
175f967051
change references to git:// protocol for accessing github to https://
2021-11-02 14:25:57 -04:00
59c060cc0e
switch to https protocol for cloning MathJax
...
https://github.blog/2021-09-01-improving-git-protocol-security-github/
2021-11-02 14:14:08 -04:00
628091c510
add reference instead of replicating headline
2021-11-02 13:33:08 -04:00
a58242f24b
couple last tweaks to make the pages easier to navigate
2021-11-02 09:27:27 -06:00
dfc68e3c75
add header for dump_modify command summary
2021-11-02 08:49:34 -04:00
7a228eedd2
move dump_modify options specific to image/movie to dump image doc page
2021-11-01 15:16:39 -06:00
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
5c9a4f4be0
implement platform abstraction of unsetenv()
2021-10-22 11:05:32 -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
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# 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
