Copyright © 2002–2009 by A. Miyoshi,
Univ. Tokyo
GPOP - Revision History
GPOP - Revision History
Rev. 2009.08.12 (latest)
- Added an option to gpop1scf, to generate
"
.xyz
" file which can be read from other
quantum chemical calculation / molecular viewer programs.
- Changed the contents of the default "
.mod
"
template file generated by gpop1scf.
"useSCFenergy+ZPE
" is set by default for all
SCF level calculation. For CBQ-QB3 jobs, CBS-QB3 E(0 K) is set
by "energyTST
" keyword, by default.
- Added a new parameter
V0
to hindered rotor input
of gpop3tst.
- Added prepum program which prepares UNIMOL input.
Rev. 2007.11.19
- Now gpop1scf creates a .mod template file named
"basename.mod". Only when it is already exists,
template file is created with a name "basename_.mod".
Rev. 2007.05.24
- Supported elememts were extended to Ba (atomic number = 56).
[Earlier revisions supported H–Ca (atomic number = 1–20)
only.]
Rev. 2005.10.26
- First beta-release of GPOP.