search

SrinivasMushnoori / repex

An implementation of the RepEx package as an application written in the EnTK API
MIT License
2 stars 2 forks source link

Supply all user input through a "config.py" file #6

Closed SrinivasMushnoori closed 5 years ago

SrinivasMushnoori commented 6 years ago

In addition to a config.py (or a config.json) have a function that uses argument parsing as well.

SrinivasMushnoori commented 6 years ago

Updated list of user supplied information number of replicas number of cycles min temp max temp number of timesteps between exchange attempts exchange type(T,pH,U,S, etc.) Synchronicity (S or A) resource

These will need to be provided with a json file rather than CLI

SrinivasMushnoori commented 6 years ago

Currently using json files. min/max temperature and synchronicity are yet to be added.

SrinivasMushnoori commented 5 years ago

Min/max temp added, synchronicity defined by running repex-sync or repex-async (when async functionality is complete).