cc4s_export.F File Reference

#include "./base/base_uses.f90"

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Modules
module	cc4s_export
	Molecular and Gamma-point periodic CC4S export from restricted RI-HF. RI_FLAVOR MO stores a weighted AO-pair triangle. The full vertex is C^T (T + T^T) C, dressed with the symmetric Coulomb inverse square root. The SCF tensors and orbitals are read only. MO transformations are distributed and bounded output pieces are gathered to the writing rank.

Functions/Subroutines
subroutine, public	cc4s_export::write_cc4s (qs_env, converged)
	Check the requested export, canonicalize private Fock/overlap copies and write tensors.