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TeraChem User Manual
CIOpt
Initializing search
User Guide
Introduction
File Formats
Input File Parameters
SCF
Coupled Cluster
Density Functional Theory
CASSCF
Optimization
AIMD
Polaritons
Properties
TeraChem User Manual
User Guide
User Guide
UserGuide
Introduction
Introduction
Overview
Obtaining TeraChem
Citing TeraChem
Acknowledgments
Getting Started
Getting Started
System Requirements
Installation
Updating TeraChem
Environment Variables
Command Line Options
Running Sample Jobs
Licensing
Licensing
Overview
HTTP Forwarding
IP Checkout License
Node-Locked Licenses
File Formats
File Formats
Atomic Coordinates
Basis Sets
Nonstandard Basis Sets
Adding Basis Sets
Input Files
Output Files
Input File Parameters
Input File Parameters
General
Hardware/Numerical
Internal QM/MM
Full List
SCF
SCF
Overview
Coupled Cluster
Coupled Cluster
Overview
CCSD
THC-CCSD
EOM-CCSD
Density Functional Theory
Density Functional Theory
Overview
Libxc
Default
CASSCF
CASSCF
Overview
Optimization
Optimization
Overview
DL-Find
Geometric
CIOpt
Geometric Python
AIMD
AIMD
Overview
Polaritons
Polaritons
Overview
Properties
Properties
Overview
RESP
VDD
Diffraction Signals
Optimization with CIOpt
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