File MixerFactory.h

Copyright

This code is licensed under the 3-clause BSD license.

Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.

See LICENSE.txt for details.

namespace Scine

This header file contains functions that allow for common notation for common things that can be done at a different degree of derivatives.

This header contains alias definitions defining which classes to use for the different degrees of derivatives.

namespace Utils

Enums

enum scf_mixer_t

Values:

none

fock_diis

ediis

ediis_diis

fock_simple

charge_simple

class MixerFactory

Public Static Functions

static const std::vector<MixerDescriptor> &getAvailableMixers()

static std::unique_ptr<SCFModifier> createMixer(scf_mixer_t mixerID)

Public Static Attributes

scf_mixer_t defaultMixer

Private Static Functions

static void setAvailableMixers()

Private Static Attributes

std::vector<MixerDescriptor> availableMixers

struct MixerDescriptor

Public Functions

MixerDescriptor(scf_mixer_t ID, std::string name)

Public Members

scf_mixer_t m_

std::string name_