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
get_information
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get_information

qcengine.get_information(key)[source]: Obtains a variety of runtime information about QCEngine.

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