f89a08985e
update DPD-BASIC package examples
2022-04-05 21:50:36 -04:00
4278ff8205
update threebody example
2022-03-24 07:32:30 -04:00
9d500280c9
more tweaks for extep potential file
2022-03-22 22:21:23 -04:00
8ef9eae60a
update potential file parser in pair style extep
2022-03-22 21:43:26 -04:00
080662683d
use tokenizer to read neb initial replica files
2022-03-22 20:54:42 -04:00
550ae15dff
proper handle partial initialization from infile
2022-03-20 21:12:35 -04:00
adf4a23f58
refactor and apply clang-format
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- replace file reader code using TextFileReader and ValueTokenizer
- replace traversing list of fixes with accessor functions
- enable and apply clang-format
- add examples for reading rigid bodies from file
2022-03-20 15:28:31 -04:00
a7fce6dc39
add harmonic/cut to python example folder. small tweaks to docs and examples
2022-03-18 17:58:30 -04:00
bc8998c997
correct toycar input example
2022-03-18 06:02:38 -04:00
fb8074d294
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
484b7e6d33
must remove and respecify fix lb/fluid around reset_timestep command
2022-03-12 16:16:15 -05:00
9931323463
attempt to transparently download the missing data file with curl
2022-03-12 14:03:08 -05:00
888db4b0ef
update examples to standard lammps conventions
2022-03-09 18:13:45 -05:00
16449c3d11
fix merge conflicts for new version of lb/fluid and minor updates from develop branch on virtual functions and removed fix styles
2022-03-08 16:38:32 -05:00
c6b4c418e7
Merge pull request #3161 from athomps/gcmc-relax-mol-mpi-error
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Relaxed the error check on molecule moves in parallel. Molecule excha…
2022-03-07 20:24:36 -05:00
8d5a59c0fa
Switched all command and class names from pressure to stress
2022-03-07 11:27:37 -07:00
e857b923bc
Added representative output to log files
2022-03-06 20:11:10 -07:00
2f5f36cff8
move examples to a more appropriate folder. add logfiles
2022-03-06 11:03:57 -05:00
fac3ce4507
example files for pressure/cartesian/cylinder/spherical
2022-03-06 12:43:37 +01:00
91f6805821
Tweaked logic for MC move flags and addedreference output for H2O and CO2 on 4 procs
2022-03-03 18:12:43 -07:00
8b627f92f0
address spelling and achor issues, and integrate into style overview tables
2022-02-16 08:10:29 -05:00
e541f006eb
replace copies of files with symbolic links
2022-02-16 06:34:31 -05:00
922b240678
Interlayer Potential for TMDs and Metal Surfaces
2022-02-12 06:05:11 +02:00
172f88a0d5
Merge pull request #3104 from ohenrich/cg-dna
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CG-DNA unit test and performance enhancement
2022-02-01 18:30:13 -05:00
fbecf0051e
Merge remote-tracking branch 'upstream/develop' into numdiff-stress
2022-01-28 18:36:27 -07:00
a9481733a0
Finished debugging, testing, documenting
2022-01-28 18:34:30 -07:00
41c1c64be9
Merged with deveop branch
2022-01-28 20:27:38 +00:00
d6a6f64576
Merge pull request #3090 from rbberger/modernize_use_override
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Modernize to C++11: use override
2022-01-28 14:10:45 -05:00
415476983d
Merge branch 'develop' into cg-dna
2022-01-26 19:31:48 +00:00
ef2969dfbf
use override keyword in plugin sources
2022-01-22 10:30:58 -05:00
3e3cd4c94d
Added correct units for pressure, still getting wrong answer
2022-01-21 19:46:54 -07:00
3286fcb13a
Added correct units for pressure, still getting wrong answer
2022-01-21 19:29:23 -07:00
c16caea13b
Fixed bounds error
2022-01-21 19:17:12 -07:00
384b715d8c
First pass at fix numdiff/stress
2022-01-21 18:53:06 -07:00
e22f62f6db
add some metadata for fix gle matrix files
2022-01-18 19:55:30 -05:00
ef13455d6b
add some metadata tags
2022-01-18 16:48:07 -05:00
1f81e2afad
Added duplication of stdout into logfile
2022-01-07 13:45:54 +00:00
3748ddb1ae
Merge branch 'lammps:develop' into cg-dna
2021-12-15 09:02:57 +00:00
33aea05080
adjust example for changes in when reset_timestep may be used
2021-12-12 10:01:52 -05:00
abd3df0c5a
Merge pull request #3040 from akohlmey/collected-small-changes
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Collected small changes and bugfixes
2021-12-10 15:51:13 -05:00
6140503158
update local/density examples to follow conventions more closely
2021-12-10 08:50:58 -05:00
3fc0ea3e80
correct names of the pack/unpack routines for forward communication
2021-12-09 18:30:54 -05:00
a975d0506a
update examples for pair style local/density
2021-12-09 18:21:32 -05:00
3d3b153b35
add proper symlink
2021-12-06 13:45:04 -05:00
e36029293a
update documentation and examples
2021-12-04 17:38:29 +02:00
1dd4a67771
add keyword for userdefined maxdelcs
2021-12-03 17:32:08 +02:00
7651be3e02
add force style test
2021-12-02 12:20:33 -05:00
ecd51ba4fe
remove obsolete/redundant files
2021-12-02 12:20:10 -05:00
30d3b2c209
merge rst files and add omp style
2021-12-02 15:46:00 +02:00
ca8dddf002
upgrade of lb/fluid fix
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This includes documentation files in the rst format in the doc/src directory, examples in the examples/PACKAGES/latboltz directory and source files in the src/LATBOLTZ directory.
2021-12-01 14:31:57 -05:00
