strucscan
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Getting started
Examples
strucscan reference
Support, contributing and extending
Help and support
Citing the code
Acknowledgements
License
strucscan
Download and Install
Edit on GitHub
Download and Install
Downloads
Source code
Getting started
Trying strucscan
Installation
Supported operating systems
Installation using pip
Installation from the repository
Using a conda environment
Dependencies
Setup
Configuration file
Structure directory
Resource directory
Example: machineconfig/example_vasp/config.yaml with parallel and serial executable of a VASP engine
Example: machineconfig/dummy/machinescripts/parallel12.sge with scheduler settings for parallel execution