aiida-crystal17
v0.4.1
User guide
Getting started
Basic Calculation Plugin
Main Calculation Plugin
Main Calculation Immigration
API
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User guide
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Getting started
Installation
Basic Calculation Plugin
Command Line Example
Main Calculation Plugin
Command Line Interface
Example Script Execution
Input and Output Parameters
Input and Output Structures
Structure Settings Data
Basis Sets
Python API Walk-through
Parameters
Structure
Structure Settings
Properties by Kind
Symmetry
Pre-Processing of the Structure
Basis Sets
Input Preparation and Validation
Creating and Submitting Calculation
Main Calculation Immigration
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