Copyright © 2002–2009 by A. Miyoshi,
Univ. Tokyo
GPOP - top
GPOP : Gaussian post processor
GPOP (acronym for
Gaussian
POst
Processor) is a
collection of post processing tools for
Gaussian,
for the estimation of thermodynamics and rate constants for gas-phase
compounds and reactions.
In order to obtain a distribution copy of the GPOP, read the two
chapters, Distribution and Licensing and Download GPOP.
For the brief look at how and what GPOP does, see the chapters
through Installation to Quick Start step-4.
Reference Manuals
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. |
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 |
gpop3mod |
(under construction) Forth-coming version of gpop3tst |
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 Free Wheel only) |
gpop6irt |
Calculates reduced moment of inertia of an internal
rotor |
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 |