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Andreas Koehn edited this page May 22, 2024 · 6 revisions

Table of Contents

GeCCo - the General Contraction Code


Conceived and written by Andreas Köhn with contributions by Mathias Hanauer, Yuri Aoto, Arne Bargholz, Robert G. Adam, Joshua Black, Wenlan Liu, Pradipta Samanta, Alexander Waigum

Documentation

Interfacing to other programs

MOLPRO DALTON CFOUR GAMESS

General-order coupled-cluster calculations

Theoretical Background

Sample Inputs

Internally-contracted multireference calculations

Theoretical Background

Sample Inputs

Molpro Integration

Command reference for GeCCo input file

Keyword reference

Sample inputs for supported methods

Deriving and manipulating equations

Sample Inputs

Tutorial

Command reference