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PSI Data Structures
Here are the data structures with brief descriptions:
psi::psimrcc::CCBLAS
psi::psimrcc::CCIndex
psi::psimrcc::CCManyBody
psi::psimrcc::CCMatIrTmp
psi::psimrcc::CCMatrix
psi::psimrcc::CCMatTmp
psi::psimrcc::CCMCSCF
psi::psimrcc::CCMRCC
psi::psimrcc::CCSort
Grabs the MO integrals from
CCTransform
and fills the
CCMatrix
objects in
CCBLAS
psi::psimrcc::CCTransform
psi::extrema::char_table
Full character table
psi::Chkpt
psi::dboc::CIOverlap
Computes overlap between 2 CI vectors. Uses precomputed string overlap matrix for alpha and beta spins
psi::extrema::coord_base
First level of abstract coordinate classes
psi::extrema::coord_base_carts
Cartesian information needed for all coordinate representations
psi::psimrcc::Debugging
psi::extrema::deloc
Derived class for delocalized internal coordinates
psi::dboc::Det
Det
is a determinant to be sorted according to "indices" Ia and Ib (can be string indices, block indices, etc.)
psi::psimrcc::IDMRPT2
psi::extrema::internals
Abstract internal coordinate derived class
psi::extrema::math_tools
A general mathematics routine class
psi::psimrcc::MOInfo
psi::PSIO
psi::extrema::simple
Class to hold
simple
definition and interface with other classes
SlaterDet
SlaterDetSet
SlaterDetVector
psi::psimrcc::SQOperator
psi::psimrcc::SQProduct
psi::psimrcc::SQSort
psi::psimrcc::SQULL
psi::psimrcc::SQVector
psi::StatCombData
String
psi::dboc::StringBlockedMatrix
Manages matrices in the basis of blocked strings
psi::dboc::StringBlocks
Manages logic of arranging strings into blocks of manageble size
StringSet
psi::psirb::Task
psi::psimrcc::Timer
psi::extrema::zmat
Derived class for z-matrix coordinates
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