Interfaces
ElemCo.Interfaces
— ModuleInterfaces module
This module provides functions to import (export) matrices from (to) external programs.
See also: MolproInterface
Exported functions and types
ElemCo.Interfaces.export_molden_orbitals
— Methodexport_molden_orbitals(EC::ECInfo, filename::String)
Export the current orbitals to a Molden file.
ElemCo.Interfaces.import_matrix
— Methodimport_matrix(EC::ECInfo, filename::String)
Import a matrix from an external program.
The type of the matrix is determined automatically.