nanotools.solver module

This module defines the Solver class.

class nanotools.solver.Solver(basis=NOTHING, cmd=NOTHING, eig=NOTHING, mpidist=NOTHING, mix=NOTHING, restart=NOTHING, cache_self_energy=True)[source]

Bases: Base

Solver class.

basis

Basis related parameters.

Type:: nanotools.basis.Basis

eig

Eigensolver related parameters.

Type:: nanotools.eig.Eig

mix

Mixer related parameters.

Type:: nanotools.mix.Mix

mpidist

Mpi related parameters.

Type:: nanotools.mpidist.Mpidist

restart

Restart related parameters.

Type:: nanotools.restart.Restart

set_mpi_command(cmd)[source]

Sets the MPI launcher command for parallel execution.

Parameters:: cmd (str) – MPI launcher command, for instance “mpiexec -n 16”.

set_stdout(stdout)[source]

Sets the standard output.

Parameters:: stdout (str) – The output of Fortran binaries will be redirected to the file stdout.