QCEngine

0+untagged.1.g6b25916

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
global_repr
View page source

global_repr

qcengine.config.global_repr()[source]

A representation of the current global configuration.

Return type:: str

Previous Next

© Copyright 2018-2024, The Molecular Sciences Software Institute.

Built with Sphinx using a theme provided by Read the Docs.