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MCTDH-X
v2.22
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MCTDH-X
v2.22
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In this module the Master and Slave routines which are called by the main program are stored. More...
Public Member Functions | |
| subroutine | master_mctdhbf |
| Master process of the MCTDHB program Directs the 7-step-integration scheme of the MCTDHB algorithm. More... | |
| subroutine | master_fci |
| This routine drives the integration of the EOM in the case of a full configuration interaction (FCI) calculation. More... | |
| subroutine | slave_process |
| The Slave Process is a wrapper routine. Via the variable CI_SCF the Slave Processes are ordered to compute either the action of the Hamiltonian action on coefficients or orbitals. More... | |
| subroutine | slave_process_ci |
| Subroutine is called by the slave processes if their assistance in computing the action of the Hamiltonian on the vector of coefficients is needed. More... | |
| subroutine | slave_process_nlevelorbitals |
| Slave Process to help the Routine Func_Nlevel (on the master process) to evaluate the Right-hand-sides of the Multi_Level Orbital equations of motion. More... | |
| subroutine | slave_process_orbitals |
| Slave Process to help the Routine Func (on the master process) to evaluate the Right-hand-sides of the Orbital equations of motion. More... | |
In this module the Master and Slave routines which are called by the main program are stored.
| subroutine master_slave_parallelization::master_fci | ( | ) |
This routine drives the integration of the EOM in the case of a full configuration interaction (FCI) calculation.
References input_output::close_binary(), orbital_equationofmotion::get_bh_integrals(), get_bh_offset(), orbital_equationofmotion::get_hamiltonianaction_nlevelorbitals(), orbital_equationofmotion::get_hamiltonianaction_orbitals(), get_initial_coefficients(), get_initial_nlevelorbitals(), get_initial_orbitals(), orbital_equationofmotion::get_rho_rho_inv(), auxiliary_fftroutines::get_sorted_fft(), auxiliary_routines::getdoubleasstring(), integration::integrator_ci(), input_output::open_binary(), input_output::read_binary(), input_output::read_binary_nlevel(), input_output::read_header(), input_output::write_bh(), input_output::write_coefficients(), input_output::write_coefficients_binary(), input_output::write_header(), input_output::write_nlevelorbitals(), input_output::write_nlevelorbitals_binary(), input_output::write_orbitals(), and input_output::write_orbitals_binary().
Referenced by mctdhx::mctdhx_routine().
| subroutine master_slave_parallelization::master_mctdhbf | ( | ) |
Master process of the MCTDHB program Directs the 7-step-integration scheme of the MCTDHB algorithm.
References input_output::close_binary(), orbital_equationofmotion::func(), orbital_equationofmotion::func_nlevel(), orbital_equationofmotion::get_hamiltonianaction_nlevelorbitals(), orbital_equationofmotion::get_hamiltonianaction_orbitals(), optimalcontrol::get_infidelities(), get_initial_coefficients(), get_initial_coefficients_bdav(), get_initial_nlevelorbitals(), get_initial_orbitals(), orbital_equationofmotion::get_rho_rho_inv(), auxiliary_fftroutines::get_sorted_fft(), integration::integrator_block_ci(), integration::integrator_ci(), integration::integrator_nlevelorb(), integration::integrator_orb(), auxiliary_routines::inttostr(), input_output::open_binary(), input_output::read_binary(), input_output::read_binary_block(), input_output::read_binary_nlevel(), input_output::read_header(), input_output::write_coefficients(), input_output::write_coefficients_bdav(), input_output::write_coefficients_binary(), input_output::write_coefficients_block_binary(), input_output::write_header(), input_output::write_nlevelorbitals(), input_output::write_nlevelorbitals_binary(), input_output::write_orbitals(), input_output::write_orbitals_binary(), and input_output::write_testing().
Referenced by mctdhx::mctdhx_routine().
| subroutine master_slave_parallelization::slave_process | ( | ) |
The Slave Process is a wrapper routine. Via the variable CI_SCF the Slave Processes are ordered to compute either the action of the Hamiltonian action on coefficients or orbitals.
References slave_process_ci(), slave_process_nlevelorbitals(), and slave_process_orbitals().
Referenced by mctdhx::mctdhx_routine().
| subroutine master_slave_parallelization::slave_process_ci | ( | ) |
Subroutine is called by the slave processes if their assistance in computing the action of the Hamiltonian on the vector of coefficients is needed.
References hamiltonianaction_coefficients::get_hamiltonianaction_ci_core(), and hamiltonianaction_coefficients::get_hamiltoniandiagonal_core().
Referenced by slave_process().
| subroutine master_slave_parallelization::slave_process_nlevelorbitals | ( | ) |
Slave Process to help the Routine Func_Nlevel (on the master process) to evaluate the Right-hand-sides of the Multi_Level Orbital equations of motion.
References get_1bodypotential(), array_interfaces::get_1dfrom3d_array(), kineticenergyaction::get_kineticenergyaction_allorbitals_nlevel(), and localinteractionpotential::get_multilevelinteractionoperatoraction().
Referenced by slave_process().
| subroutine master_slave_parallelization::slave_process_orbitals | ( | ) |
Slave Process to help the Routine Func (on the master process) to evaluate the Right-hand-sides of the Orbital equations of motion.
References get_1bodypotential(), localinteractionpotential::get_interactionoperatoraction(), and kineticenergyaction::get_kineticenergyaction_allorbitals().
Referenced by slave_process().
1.8.6 
