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1. 2DMD 2DMD Public

   C++

2. hydrate-cage-identification hydrate-cage-identification Public

   C++

3. md-ff-opt md-ff-opt Public

   Python

4. F4SPC F4SPC Public

   This repository contains the Python codes to determine the structural F4 order parameter from MD simulation results

   Python 3

5. MD_ThermalDissociation MD_ThermalDissociation Public

   Python

6. flash-calc flash-calc Public

   Codes written in Matlab to perform Flash calculations using six different EOSs (Equation of States) including PR (Peng-Robinson), RK (Redlich–Kwong), Patel-Teja (PT), Soave–Redlich–Kwong (SRK), Sch…

   MATLAB 1