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feasst
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo methods.
http://pages.nist.gov/feasst
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revised documentation for HenryCoefficient class
#14
dwsideriusNIST
closed
1 month ago
0
PR for deleting SWIG and updates to HenryCoefficient.
#13
dwsideriusNIST
closed
1 month ago
3
Enhancements on the todo list not listed here
#12
HaroldHatchNIST
opened
11 months ago
0
Fix links in GitHub README
#11
HaroldHatchNIST
closed
1 month ago
1
Update trial_grow.h
#10
dwsideriusNIST
closed
11 months ago
1
cmake feasst.h does not exist
#9
HaroldHatchNIST
closed
1 year ago
0
Add data column to flat_histogram criteria file
#8
dwsideriusNIST
closed
1 year ago
1
Update README.rst
#7
tonyxrandall
closed
1 year ago
1
installation issue with Apple Silicon M1 Max [solved]
#6
mtap-research
closed
1 year ago
3
add environment.yml
#5
jingxiangguo
closed
4 years ago
0
unique_ptr preferred over shared_ptr
#4
HaroldHatchNIST
opened
7 years ago
1
Clean up "Space" class
#3
HaroldHatchNIST
closed
6 years ago
0
CMake find_package PythonLibs for conda
#2
HaroldHatchNIST
closed
7 years ago
2
Const protected/private variables and functions
#1
HaroldHatchNIST
closed
5 years ago
1