database_settings.txt

frame
natoms
nstates
nmodes
three
two

generate_database(name, data=[], dimensions={'natoms': 3, 'nstates': 4, 'nmodes': 15}, units=None, attributes=None, descriptition=None, model=False, sp=True)
load_database(name, data=[], dimensions={}, units=None, attributes=None, descriptition=None, model=False, read_only=False)
load_database(name, read_only=True)
check: data, model, units

 plugin/
    qchem/
        ...
    gaussian/
        ...


 name          descresc             Dimensions
---------------------------------------------------------------
 crd_equi                            natoms, 3
 atomids                             natoms
 freqs                               nmodes
 modes                               nmodes
 masses                              natoms/nmodes (in case of model)
 ----------frames----------------------------------------------
 crd           coordinates           natoms, 3/nmodes
 veloc         velocities            natoms, 3/nmodes
 accel         acceleration          natoms, 3/nmodes
 energy        energies              nstates
 gradient      gradients             nstates, natoms, 3/nstates, nmodes
 fosc          oscilatorstaerke      nstates 
 transmom      transition dipol      nstates, 3
 currstate     current state         one
 ekin          ekin                  one
 epot                                one
 etot                                one
 nacs                                nstates, nstates, natoms, 3

1. wanns kreiiert
2. descript: 
3. units: pro varibale