|
|
0471d211a2
|
remove dead code and silence compiler warnings
|
2020-01-19 13:33:16 -05:00 |
|
|
|
998b60eabc
|
restore accidentally renamed keyword
|
2020-01-17 12:17:47 -05:00 |
|
|
|
33c846cd5e
|
guard converting thermo output from other output to the screen and do not crash
fixes #1844
|
2020-01-17 09:48:07 -05:00 |
|
|
|
a53202bad2
|
removing the time estimate code for create_atoms completely, as we'll have linear scaling soon.
|
2020-01-16 17:23:57 -05:00 |
|
|
|
dd60bddc33
|
reset embedding step counter when init_style() is called
|
2020-01-16 17:14:23 -05:00 |
|
|
|
79f9ede38a
|
print warning when using pair_write on EAM pair style
|
2020-01-16 16:51:32 -05:00 |
|
|
|
070bb8c5cd
|
change estimate for creating atoms after benchmarking a 440M atom system
|
2020-01-16 16:46:37 -05:00 |
|
|
|
93a6d3a1fc
|
print warning (once) if EAM embedding data is out of sync, error out, if embedding term is not available at all.
|
2020-01-16 16:35:05 -05:00 |
|
|
|
cf80495a3d
|
change estimate for time to create an atom from 25ns to 1us
|
2020-01-16 12:15:42 -05:00 |
|
|
|
9f018b9aa2
|
make list of fixes have a multiple of 6 number of entries
|
2020-01-15 17:40:51 -05:00 |
|
|
|
f1c79fb914
|
Merge pull request #1096 from ProfessorMiller/master
Changes to the NH fix enabling Cauchy stress control (Cauhchystat) du…
|
2020-01-15 17:35:03 -05:00 |
|
|
|
77a28c404a
|
Merge pull request #1831 from akohlmey/pair-bop-updates
Correct some issues with pair style bop and its potential files
|
2020-01-15 17:30:07 -05:00 |
|
|
|
4e32af5d49
|
Merge branch 'master' into pair-bop-updates
|
2020-01-15 17:13:22 -05:00 |
|
|
|
62f0d87e59
|
update .gitignore for recently added styles
|
2020-01-15 17:13:14 -05:00 |
|
|
|
df24475ea1
|
update bop potential files to the latest versions
|
2020-01-15 16:50:10 -05:00 |
|
|
|
4801f013a5
|
correct logic error in reading of bop potential files
|
2020-01-15 16:49:23 -05:00 |
|
|
|
3efc5b0b64
|
Merge pull request #1841 from phankl/stable
Mesoscopic potential for carbon nanotubes
|
2020-01-15 16:31:40 -05:00 |
|
|
|
cb20d73a82
|
consistent name for pot file, symbolic link in examples
|
2020-01-15 20:45:13 +00:00 |
|
|
|
1ed50bcdde
|
Merge pull request #1837 from akohlmey/collected-small-changes
Collected small changes for the next patch release
|
2020-01-15 15:34:00 -05:00 |
|
|
|
f888c436c3
|
use safe fgets version and check sscanf() return value for correct parsion of potential file header
|
2020-01-15 14:24:02 -05:00 |
|
|
|
48cdd6c2fb
|
refactor mesocnt example to be better suited for testing and add logs
|
2020-01-15 14:23:19 -05:00 |
|
|
|
90d5f7be01
|
Merge remote-tracking branch 'cntmeso/stable' into ph-cntmeso
# Conflicts:
# doc/src/pair_mesocnt.rst
|
2020-01-15 13:54:37 -05:00 |
|
|
|
3cb26e576d
|
make sure communication buffers are fully initialized
|
2020-01-15 13:47:01 -05:00 |
|
|
|
f05175eb1d
|
properly initialize eflag/vflag and all related properties
|
2020-01-15 13:42:50 -05:00 |
|
|
|
500363ab83
|
move functions in MathExtra namespace to math_extra.h header file
|
2020-01-15 13:42:14 -05:00 |
|
|
|
34bc3b1b2e
|
changed documentation format to .rst
|
2020-01-15 18:23:45 +00:00 |
|
|
|
51f41d4559
|
add missing rst format doc file
|
2020-01-15 13:05:28 -05:00 |
|
|
|
a74c3b912b
|
remove tabs and trailing whitespace, adjust source format to closer match LAMMPS style
|
2020-01-15 12:54:37 -05:00 |
|
|
|
4d20f1623c
|
remove outdated .txt versions of documentation
|
2020-01-15 11:53:21 -05:00 |
|
|
|
97bcce77d3
|
update documentation to rst format and integrate into lists/tables
|
2020-01-15 11:52:49 -05:00 |
|
|
|
2f1e3d8490
|
Merge branch 'master' into ph-cntmeso
# Conflicts:
# doc/src/pairs.txt
|
2020-01-15 11:45:14 -05:00 |
|
|
|
a8d27efbe7
|
fixed typos in documenation, added words to false positives for spell check
|
2020-01-15 14:33:52 +00:00 |
|
|
|
902d772b85
|
removed harmonic bond and angle from repo
|
2020-01-15 13:47:51 +00:00 |
|
|
|
331fff0613
|
moved files to USER-MISC, added README entry, added examples
|
2020-01-15 12:07:26 +00:00 |
|
|
|
198a40ada6
|
fixed typo in documentation
|
2020-01-15 11:43:11 +00:00 |
|
|
|
9ef984daaa
|
added documentation
|
2020-01-15 11:04:43 +00:00 |
|
|
|
133be2132d
|
Merge remote-tracking branch 'github/junghans-patch-1' into collected-small-changes
|
2020-01-14 16:57:52 -05:00 |
|
|
|
392b32ef6f
|
cmake: fix warning about chain.x
|
2020-01-14 14:26:28 -07:00 |
|
|
|
cbf3756923
|
correct CR/LF into plain LF line endings
|
2020-01-14 15:57:37 -05:00 |
|
|
|
a57f6f5852
|
Merge pull request #1838 from lammps/stochastic-example
enhanced stochastic wall example
|
2020-01-14 15:55:24 -05:00 |
|
|
|
93b6d5312d
|
update the github workflow document for recent changes
|
2020-01-14 15:42:55 -05:00 |
|
|
|
16d6932aca
|
update the contributing guidelines to new documentation format and additional policies and checks
|
2020-01-14 15:37:07 -05:00 |
|
|
|
ceeae57172
|
enhanced stochastic wall example
|
2020-01-14 13:20:35 -07:00 |
|
|
|
50aa52fc9c
|
replace (evil) tabs with blanks
|
2020-01-14 15:08:56 -05:00 |
|
|
|
ded3354fa9
|
add comments about thread safety to the library howto
|
2020-01-14 15:04:17 -05:00 |
|
|
|
7f0373afa3
|
fix typo
|
2020-01-14 14:51:00 -05:00 |
|
|
|
b9c6e0f700
|
Merge pull request #1691 from toquydong/stochasticwall
Implementation of statistical gas wall boundary conditions
|
2020-01-14 14:11:16 -05:00 |
|
|
|
285138ea13
|
Merge pull request #1836 from lammps/hyper-upgrade
Hyperdynamics upgrade
|
2020-01-14 14:10:16 -05:00 |
|
|
|
75b2066506
|
correct spelling issues
|
2020-01-14 13:34:19 -05:00 |
|
|
|
660264855a
|
update rst documentation for fix hyper/local
|
2020-01-14 13:27:35 -05:00 |
|
