propagator_bomd.F90 File Reference

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Modules
module	propagator_bomd_oct_m

Data Types
interface	propagator_bomd_oct_m::propagator_bomd_t
	Implements a propagator for Born-Oppenheimer molecular dynamics. More...

Functions/Subroutines
type(propagator_bomd_t) function, pointer	propagator_bomd_oct_m::propagator_bomd_constructor (dt)

Variables
character(len=algo_label_len), parameter, public	propagator_bomd_oct_m::bomd_start = 'BOMD_START'
character(len=algo_label_len), parameter, public	propagator_bomd_oct_m::bomd_finish = 'BOMD_FINISH'
character(len=algo_label_len), parameter, public	propagator_bomd_oct_m::bomd_elec_scf = 'BOMD_ELEC_SCF'
type(algorithmic_operation_t), parameter, public	propagator_bomd_oct_m::op_bomd_start = algorithmic_operation_t(BOMD_START, 'Starting Born-Oppenheimer MD')
type(algorithmic_operation_t), parameter, public	propagator_bomd_oct_m::op_bomd_finish = algorithmic_operation_t(BOMD_FINISH, 'Finishing Born-Oppenheimer MD')
type(algorithmic_operation_t), parameter, public	propagator_bomd_oct_m::op_bomd_elec_scf = algorithmic_operation_t(BOMD_ELEC_SCF, 'SCF for the electrons')