GPOP: Gaussian post processor

GPOP : Gaussian post processor

GPOP (acronym for Gaussian POst Processor) is a collection of post processing software tools for Gaussian and MOLPRO, for the estimation of thermodynamics and rate constants for gas-phase compounds and reactions.

To obtain a distribution copy of GPOP, read two chapters, Distribution and Licensing and Download GPOP.
For a quick trial, read and follow the chapters, Installation, Quick Start step-1, 2, 3, and 4.
For the relationship among GPOP components, see the Structure of GPOP chapter in Reference Manuals.

Distribution and Licensing
Download GPOP

Installation
Quick Start step-1
Quick Start step-2
Quick Start step-3
Quick Start step-4

Revision History

Reference Manuals

Intorduction

Basic Introduction

Structure of GPOP

Pre-processing

gpop1scf	Preprocesses a Gaussian SCF/DFT-level frequency job output. It extracts essential results needed by the other GPOP components and stores them in a GPOP format file.
gpop2mlp	Preprocesses a MOLPRO frequency job output. It extracts essential results needed by the other GPOP components and stores them in a GPOP format file.
gpop3tst	Modifies a GPOP format file using information provided in a `'.mod'` file containing the energy, internal rotor specifications, etc.
gpop3atm	Generates GPOP format file for an atomic species

Thermodynamics & rate constant calculation

gpop4thf	Calculates thermodynamic functions
tstrate	Calculates rate constants for a reaction
vtst	Calculates rate constants for a barrierless reaction by VTST
prepum	Creates UNIMOL RRKM input

Diagnostics and analysis

gpop5vib	Generates animation files for vibrational modes (compatible with FreeWheel only. This program is no longer maintained.)
gpop6irt	Calculates reduced moment of inertia and corresponding rotational constant of an internal rotor required by the programs like BEx1D.
gpop6mrt	Calculates reduced moments of inertia of internal rotors and possible coupling between them
introt	Similar to gpop6mrt but can be used without GPOP format files