ef2e51b344
whitespace fixes
2021-11-22 14:58:41 -05:00
6b605e932b
Merge branch 'develop' into mixing-info
2021-11-22 14:58:19 -05:00
a83329a1a7
Merge pull request #3032 from GenieTim/compute-pair-distance-vector
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Add dx, dy and dz computes to compute bond/local and property/local
2021-11-22 14:50:15 -05:00
b2dae36eb9
discuss mixing informational message
2021-11-19 14:36:00 -05:00
3d4b0121cb
improve pair hybrid documentation with respect to mixing
2021-11-19 14:18:55 -05:00
4b6090a8cb
Add direction consistency check to pair/local too
2021-11-18 19:28:51 +01:00
36e4e3e746
Add ddx, dy and dz computes to compute bond/local and property/local
2021-11-18 17:22:32 +01:00
15f1c2d960
Fix inaccurate error message
2021-11-18 08:50:09 -07:00
29471bd425
Merge branch 'develop' of github.com:lammps/lammps into big_dump_sort
2021-11-17 14:09:51 -07:00
377b5b4ab3
Merge pull request #3020 from akohlmey/collected-small-changes
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Collected small changes and fixes
2021-11-17 14:00:13 -05:00
ef30e3bd35
clarifications and corrections for the discussion of the main git branches
2021-11-17 06:58:44 -05:00
d1403c62c8
update restrictions note for dump_modify
2021-11-05 10:56:54 -04:00
ebb3dcd9ff
Remove error message
2021-11-04 20:20:07 -06:00
b3c5f6a4fd
whitespace
2021-11-04 16:48:29 -04:00
935c17f02e
Document multi-configuration build support in CMake
2021-11-04 16:32:21 -04:00
2cd862e4a2
Update lebedeva potential file and docs based on email on mailing list
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https://matsci.org/t/lammps-users-webpage-and-parameter-file-for-the-lebedeva-potential/39059
2021-11-04 15:24:41 -04:00
8e89c7c654
correct unit description of eta_n0 parameters. fixes #3016
2021-11-04 15:24:41 -04:00
825945f783
mention that dump sorting is limited to less than 2 billion atoms
2021-11-04 15:24:41 -04:00
50f39cd752
implement and use a platform neutral abstraction of unsetenv(3)
2021-11-03 10:53:45 -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
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
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
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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
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"
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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
