QCEngine

Getting Started

Install QCEngine

User Interface

Single Compute
Environment Detection
Command Line Interface

Programs

Program Overview
Semiempirical Quantum Mechanics
Molecular Mechanics

Developer Documentation

QCEngine API
Changelog
Adding a New Program Harness

QCEngine

QCEngine API
list_all_procedures
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list_all_procedures

qcengine.list_all_procedures()[source]

List all procedures registered by QCEngine.

Return type:: Set[str]

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