Beast code in Giters

Han Wang's repositories

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

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adress.noneq

use adress to study non-equilibrium problems.

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chemical.potential

calculate the chemical potential using AdResS.

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gasser

GASSER (GPU Accelerated Simulator for Soft mattER).

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noneq.msm

non-equilibrium study of MSM

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adress.eq

equilibrium properties of adress

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bedm

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dpdata

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

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dpgen

The deep potential generator

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gsimplecal

Simple and lightweight GTK calendar (BSD license)

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hydrodynamic-bd

Hydrodynamic boundary by MD simulation

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ice.melting

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library

The library for useful tools

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md.error

Error estimates for MD simulations

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md_tools

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optimal.control

optimal controlled MD for computing rare events.

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plumed2

Development version of plumed 2

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samplemod

Sample module for Python-Guide.org.

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test

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