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malramsay64
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statdyn-analysis
Collection of tools for the statistical dynamics analysis of Molecular Dynamics trajectories.
MIT License
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Create a lockfile for the conda dependencies
#35
malramsay64
closed
6 years ago
1
ENH Update definition of molecules
#34
malramsay64
closed
6 years ago
0
Update sphinx documentation
#33
malramsay64
closed
5 years ago
1
Make verbosity flag work
#32
malramsay64
closed
6 years ago
0
Error handling of command line interface
#31
malramsay64
closed
6 years ago
1
Simplify the deployment of the repository
#30
malramsay64
closed
6 years ago
1
Convert input filename to Path
#29
malramsay64
closed
6 years ago
0
include bokeh.show in figures __init__.py
#28
malramsay64
closed
6 years ago
1
Incorrect Definition of Rigid Bodies
#27
malramsay64
closed
6 years ago
1
Thermodynamic analysis of configuration
#26
malramsay64
opened
6 years ago
0
Support hoomd snapshot in HoomdFrame class
#25
malramsay64
closed
6 years ago
1
Use freud for computing neighbours
#24
malramsay64
closed
6 years ago
2
Create subdirectory for conda recipe
#23
malramsay64
closed
6 years ago
1
Use freud for neighbours and voronoi
#22
malramsay64
closed
6 years ago
0
Handle box from gsd and hoomd
#21
malramsay64
closed
6 years ago
0
Simplify Dependencies
#20
malramsay64
closed
6 years ago
1
Draw circles
#19
malramsay64
closed
6 years ago
0
Simplify deployment and testing
#18
malramsay64
closed
6 years ago
1
Computation of relaxation times
#17
malramsay64
closed
6 years ago
0
Simpler imports for interactive use
#16
malramsay64
closed
6 years ago
0
ENH Command line flag for dynamics of linear trajectories
#15
malramsay64
closed
6 years ago
1
Update travis configuration
#14
malramsay64
closed
6 years ago
1
Improvements to test suite
#13
malramsay64
closed
6 years ago
1
Create --help flag
#12
malramsay64
closed
6 years ago
1
Incorporate analysis of crystal structures
#11
malramsay64
opened
6 years ago
1
Actually run linting/type-checking when running tests
#10
malramsay64
closed
6 years ago
1
Create class to standardise reading of files
#9
malramsay64
closed
5 years ago
0
Create tests for malformed input files
#8
malramsay64
opened
6 years ago
0
Support for the analysis of lammps output files
#7
malramsay64
closed
6 years ago
0
Move keyframe logic in analysis to function/class
#6
malramsay64
closed
5 years ago
1
Fail loudly on install
#5
malramsay64
closed
6 years ago
0
Break voro++ code into separate repository
#4
malramsay64
closed
6 years ago
0
Use bumpversion for versioning
#3
malramsay64
closed
6 years ago
0
Machine Learning in figures generating error
#2
malramsay64
closed
6 years ago
1
Better control of directory and files with figure command
#1
malramsay64
closed
5 years ago
1
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