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Syntax
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More Advanced Input Options
Contents
PSI3
Input Files
Subsections
Syntax
Specifying the Type of Computation
Geometry Specification
Molecular Symmetry
Specifying Scratch Disk Usage in
PSI3
The
.psirc
File
Specifying Basis Sets
Default Basis Sets
Custom Basis Sets
Automated Conversion of Basis Sets
Specification of Ghost Atoms
T. Daniel Crawford 2009-02-16
