NEWTON-X
 

NEWTON-X
A package for Newtonian dynamics close to the crossing seam

What is NX?


Surface hopping
NX is a general-purpose program package for excited-state molecular dynamics, including nonadiabatic methods (Trajectory Surface Hopping). 

Modularity
NX modular development allows it to be easily linked to any quantum chemistry package that can provide energy gradients and nonadiabatic couplings.

Documentation and Tutorial


Current version (1.4)
In the current version, NX can perform nonadiabatic dynamics using COLUMBUS, TURBOMOLE, GAUSSIAN, and GAMESS program packages.

Documentation

version 1.4

version 1.3

version 1.2

version 1.1

Tutorial 1.4

Tutorial 1.2


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www.newtonx.org