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bjmorgan
/
kinisi
A Python package for estimating diffusion properties from molecular dynamics simulations.
https://kinisi.readthedocs.io
MIT License
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A solution to saving and loading
#16
arm61
closed
1 year ago
0
Adding a diff.save() method to save the whole DiffusionAnalyzer object
#15
gabkrenzer
closed
1 year ago
6
Enable dimensionality investigations
#14
arm61
closed
2 years ago
0
[Feature Request] MSD/Diffusion calculation in the x,y, and z direction
#13
ezpzbz
closed
2 years ago
3
Memory limit
#12
arm61
closed
2 years ago
0
Likelihood
#11
arm61
closed
2 years ago
0
Changing the approach to variance estimation
#10
arm61
closed
2 years ago
0
Make `random_state` object a class variable
#9
arm61
opened
2 years ago
0
Enable plotting of corner plots
#8
arm61
closed
2 years ago
1
A large refactor of the API to use classmethods as an interface
#7
arm61
closed
2 years ago
0
Use `class_methods` to support different file types
#6
arm61
closed
2 years ago
1
Move to using a pyproject.toml
#5
arm61
closed
1 year ago
0
Refactor
#4
arm61
closed
2 years ago
0
Support a list of `Xdatcar` objects
#3
arm61
closed
2 years ago
1
test method
#2
arm61
closed
2 years ago
0
latest version of the methodology
#1
arm61
closed
2 years ago
0
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