Copyright © 2002–2007 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.
Reference Manuals for GPOP Components
Pre-processing tools
gpop1scf |
Preprocessing Tool for 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 |
Tool to modify a GPOP format file using information provided in
a '.mod' file containing the energy and internal rotor
specifications. |
gpop3atm |
GPOP format file generator for atomic species. |
gpop3mod |
(under construction) Forth-coming version of gpop3tst. |
Thermodynamics / rate constant calculation tools
gpop4thf |
Calculation tool for thermodynamic functions. |
tstrate |
Calculation tool for rate constants for reaction. |
Diagnostics tools
gpop5vib |
Animation file generator for vibrational modes.
(compatible with Free Wheel only) |
gpop6irt |
Tool to calculate reduced moment of inertia of an internal
rotor. |
gpop6mrt |
Tool to calculate reduced moments of inertia of internal
rotors and possible coupling between them. |
introt |
Similar to gpop6mrt but can be used without GPOP
format files. |