ccsd_approximations.h File Reference
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Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::lcao
 
 mpqc::lcao::cc
 

Functions

template<typename Array >
Array mpqc::lcao::cc::compute_approx_r2 (const Array &t1, const Array &t2, const Array &tau, Integrals< Array > &ints)
 this file contains functions to compute approximate spin-adapted closed-shell CCSD t2 amplitude equation More...
 
template<typename Array >
Array mpqc::lcao::cc::compute_approx_r2_df (const Array &t1, const Array &t2, const Array &tau, Integrals< Array > &ints)
 
template<typename Array >
Array mpqc::lcao::cc::compute_cs_ccsd_r2_cp4_blocks (const Array &t1, const Array &t2, const Array &tau, Integrals< Array > &ints)
 
template<typename Array >
Array mpqc::lcao::cc::compute_rpa_r2 (const Array &t1, const Array &t2, const Array &tau, Integrals< Array > &ints)
 
template<typename Array >
Array mpqc::lcao::cc::compute_ccd_r2 (const Array &t1, const Array &t2, const Array &tau, Integrals< Array > &ints)
 CCD residual from DOI 10.1021/ct100584w. More...