Usage
ΒΆ
To use pysurf in a project:
import
pysurf
pysurf
Navigation
Contents:
PySurf-FSSH: New Plugin for PySurf to Perform Nonadiabatic Dynamics using FSSH
Installation
Tutorial: Write an Interpolator
Tutorial: Add a Model System
Tutorial: Write a Abinitio-Interface
Tutorial: Write a Sampler
Tutorial: Single Point Calculation
Tutorial: Trajectory Surface Hopping
Step 1: Sampling
Step 2: Setup the calculations
Step 3: Start the calculations
Tutorial: Write your own Workflow
Surface Provider
Database
SAMPLING
Usage
Contributing
Credits
History
Related Topics
Documentation overview
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SAMPLING
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Contributing