OpenMCTDHB v2.3

Modules List

Here is a list of all modules with brief descriptions:
moduleallocatablesThis module contains declarations of all allocatable variables and the (de)allocate subroutines
modulecomputationcoreThis module contains core computational routines
modulecorrelationfunctionsThis module contains routines to compute correlation function and writes them to files, e.g. the one- and two particle densities and momentum distributions
modulecreate_V_extContains variable declarations and subroutines to write external potentials with the additional program create_V_ext. Add whatever external potential you like
moduledefaultsThis module contains default initializations. Some of these are overwritten file input.nml is read in and their values are determined depending on the input, e.g. nConf. These are the default values in case the variable is not read in via the input file. This is just to make sure that there are no uninitialized variables anywhere in the code. Keep it that !> way! This is a strict requirement for submitting code
modulederivesystemvariablesThis module contains routines that derive system parameters from the variables read in via input.nml. The module ses the function beta of the asa189 library to compute the number of configurations. This is useful for more than M=2 orbitals
moduleextensionsThis module contains computational extensions, e.g. time-dependent extenal potentials, time-dependent interaction strengths, etc
modulefftThis module contains fast fourier transform wrappers. We use the convention of the FFT without any prefactor (just like FFTW), This implies that the inverse transform of the transform gives the original sequence times the number of gridpoints, i.e. FFT^+[FFT^-[x]]= N*[x]
modulegridThis module contains routines that return position and momentum space related arrays
moduleinputoutputThis module contains routines that deal with I/O to the screen and to files
moduleinputvariablesThis module contains the declarations for the variables read in via input.nml and the associated NAMELISTS. IMPORTANT: the default values defined here will only be used, if the respective NAMELISTS are NOT read in via 'input.nml'
moduleintegrationThis module contains seven routines which do the 7 integration steps of the MCTDHB algorithm, as it is described in the paper PRA 77, 033613 (2008)
moduleparametersThis module contains parameters, nothing else
 All Namespaces Files Functions Variables