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Chapter
20
Keywords in the
control
file
20.1
Introduction
20.2
Format of Keywords and Comments
20.2.1
Keywords for System Specification
20.2.2
Keyword for the General Memory Specification
20.2.3
Other General Keywords
20.2.4
Keywords for redundant internal coordinates in
$redund_inp
20.2.5
Keywords for Module
uff
20.2.6
Keywords for Module
woelfling
20.2.7
Keywords for Modules
dscf
and
ridft
20.2.8
Keywords for Point Charge Embedding
20.2.9
Keywords for Periodic Electrostatic Embedded Cluster Method
20.2.10
Keywords for COSMO
20.2.11
Keywords for Module
riper
20.2.12
Keywords for Modules
grad
and
rdgrad
20.2.13
Keywords for Module
aoforce
20.2.14
Keywords for Module
evib
20.2.15
Keywords for Module
escf
20.2.16
Keywords for Module
rirpa
20.2.17
Keywords for Module
egrad
20.2.18
Keywords for Module
mpgrad
20.2.19
Keywords for Module
ricc2
20.2.20
Keywords for Module
ccsdf12
20.2.21
Keywords for Module
pnoccsd
20.2.22
Keywords for Module
relax
20.2.23
Keywords for Module
statpt
20.2.24
Keywords for Module
moloch
20.2.25
Keywords for wave function analysis and generation of plotting data
20.2.26
Keywords for Module
frog
20.2.27
Keywords for Module
mpshift
20.2.28
Keywords for Parallel Runs
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