ONETEP Documentation
7.1
Contents:
Starting with ONETEP
Working with GitHub
Ground State Calculation Setup
Correlation and Constrained DFT
Dynamics
Transition States and NEB
Spectroscopy and Transport
Population Analysis
GPU Accelerated Code
GPU Accelerated Implementation
QM/MM (TINKTEP) and Polarisable Embedding
Properties
Relaxation
Density Functional Tight Binding (DFTB)
Performance considerations
Developer Area
ONETEP Documentation
GPU Accelerated Code
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GPU Accelerated Code
Contents:
GPU Accelerated Implementation