Here is a list of all modules with brief descriptions:
| moduleallocatables | This module contains declarations of all allocatable variables and the (de)allocate subroutines |
| modulecomputationcore | This module contains core computational routines |
| modulecorrelationfunctions | This 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_ext | Contains variable declarations and subroutines to write external potentials with the additional program create_V_ext. Add whatever external potential you like |
| moduledefaults | This 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 |
| modulederivesystemvariables | This 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 |
| moduleextensions | This module contains computational extensions, e.g. time-dependent extenal potentials, time-dependent interaction strengths, etc |
| modulefft | This 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] |
| modulegrid | This module contains routines that return position and momentum space related arrays |
| moduleinputoutput | This module contains routines that deal with I/O to the screen and to files |
| moduleinputvariables | This 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' |
| moduleintegration | This 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) |
| moduleparameters | This module contains parameters, nothing else |
1.7.3
