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License
dual MIT/GPLv3 licence
Availability |
Python version 2.4 or greater. NumPy should be installed. |
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Core Developers | Main Developers
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Methodology |
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Inquiry / Application Requesti-PI is a universal force engine interface written in Python, designed to be used together with an ab-initio (or force-field based) evaluation of the interactions between the atoms. This application includes a large number of sophisticated methods such as replica exchange molecular dynamics (REMD) and path integral molecular dynamics (PIMD). Inter-atomic forces can be computed by using external codes such as CP2K, Quantum ESPRESSO and LAMMPS.
dual MIT/GPLv3 licence
Availability |
Python version 2.4 or greater. NumPy should be installed. |
---|---|
Core Developers | Main Developers
|
Methodology |
|
Related App | |
Related keywords | |
Document |