opi.input.simple_keywords.dlpno

Classes

Dlpno

Enum to store all simple keywords of type Dlpno.

Module Contents

class opi.input.simple_keywords.dlpno.Dlpno

Bases: opi.input.simple_keywords.base.SimpleKeywordBox

Enum to store all simple keywords of type Dlpno.

HFLD

HF + Dispersion energy.

Type:

SimpleKeyword

LED

Energy decomposition for DLPNO-CC methods..

Type:

SimpleKeyword

LOOSEPNO

Select loose PNO settings..

Type:

SimpleKeyword

NORMALPNO

Select normal PNO settings..

Type:

SimpleKeyword

TIGHTPNO

Select Tight PNO settings..

Type:

SimpleKeyword

ADLD

Atomic decomposition of the London Dispersion energy..

Type:

SimpleKeyword

PNOEXTRAPOLATION

Automatic extrapolation of PNO space..

Type:

SimpleKeyword