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simphony
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simphony-lammps
The LAMMPS engine-wrapper for the SimPhoNy framework
http://www.simphony-project.eu/
BSD 2-Clause "Simplified" License
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Remove cuba_ext
#135
mehdisadeghi
closed
7 years ago
2
Fix tests + Lint
#134
mehdisadeghi
closed
7 years ago
0
Simplify build
#133
mehdisadeghi
closed
7 years ago
0
Refactor
#132
mehdisadeghi
closed
7 years ago
0
Introduced EDM infrastructure
#131
stefanoborini
closed
7 years ago
0
Add docker badge
#130
mehdisadeghi
closed
7 years ago
0
Problem: Dockerfile is missing
#129
mehdisadeghi
closed
7 years ago
0
fixing the example and the wrapper
#128
ahashibon
opened
7 years ago
1
coordinates is missing from data container
#127
ahashibon
opened
7 years ago
0
Problem: re-runs are not supported with CUDS
#126
mehdisadeghi
closed
7 years ago
0
Temporarily revert from using Simulation in example.
#125
ahashibon
closed
7 years ago
1
Test failure for build against simphony-common 0.6.0
#124
stefanoborini
closed
7 years ago
3
Building against simphony-common 0.6.0
#123
stefanoborini
closed
7 years ago
3
Update wrapper and NVE example
#122
mehdisadeghi
closed
7 years ago
1
Common version 0.6.0
#121
stefanoborini
closed
7 years ago
3
Problem: cuba extensions is redundant
#120
mehdisadeghi
closed
7 years ago
2
Problem: NVE example is outdated
#119
mehdisadeghi
closed
8 years ago
1
Problem: lammps and ligghts engines are mixed in this wrapper
#118
mehdisadeghi
closed
8 years ago
3
speed-up builds
#117
itziakos
closed
8 years ago
2
Add lammps tests using CUDS class
#116
mehdisadeghi
closed
8 years ago
0
Implement ABCEngineExtension. #114
#115
mehdisadeghi
closed
8 years ago
1
Implement wrapper metadata class
#114
mehdisadeghi
closed
8 years ago
0
ipython crashes when launced from dir simlammps
#113
jeremy-rutman
closed
7 years ago
2
Add write_data_file (file_utility.py) to file_conversion documenation
#112
nathanfranklin
opened
8 years ago
0
Improve file conversion example
#111
nathanfranklin
closed
8 years ago
1
Release 0.1.5
#110
nathanfranklin
closed
8 years ago
0
Upgrade to latest stable lammps
#109
nathanfranklin
closed
8 years ago
0
Stop writing to log when using the lammps library
#108
nathanfranklin
closed
8 years ago
0
Update to newer stable version of LAMMPS
#107
nathanfranklin
closed
8 years ago
5
Extending engine to use CUDS
#106
nathanfranklin
closed
7 years ago
4
Use check engine tests
#105
nathanfranklin
closed
8 years ago
0
Finish DEM prototype
#104
nathanfranklin
closed
8 years ago
1
use abc_check_engine to test engine
#103
nathanfranklin
closed
8 years ago
1
Update documentation
#102
nathanfranklin
closed
8 years ago
0
Add DEM prototype
#101
nathanfranklin
closed
8 years ago
2
Add benchmarking and do some optimizations
#100
nathanfranklin
closed
9 years ago
1
parallel support
#99
nathanfranklin
closed
7 years ago
2
add_dataset is incorrectly returning an instance of LammpsParticles
#98
nathanfranklin
closed
8 years ago
0
Use codecov instead of coveralls
#97
nathanfranklin
closed
9 years ago
0
Update example
#96
nathanfranklin
closed
9 years ago
2
Fix docs (read-the-docs etc..)
#95
nathanfranklin
closed
9 years ago
3
Update to use simphony version 0.2.0
#94
nathanfranklin
closed
9 years ago
0
Release 0.1.4
#93
nathanfranklin
closed
9 years ago
0
readthedocs is failing
#92
nathanfranklin
closed
9 years ago
0
Fix internal simulation box error
#91
nathanfranklin
closed
9 years ago
1
Investigate segementation fault when NUMBER_OF_TIME_STEPS is high in tests
#90
nathanfranklin
closed
7 years ago
1
internal wrapper fails to add points on the margin of simulation box
#89
nathanfranklin
closed
9 years ago
0
WIP: Update to use simphony version 0.2.0
#88
nathanfranklin
closed
9 years ago
1
use scatter_atom/gather atom instead of extract_atom
#87
nathanfranklin
closed
9 years ago
1
INTERNAL wrapper does not update particle coordinates when run occurs
#86
nathanfranklin
closed
9 years ago
0
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