Keywords

Here is the list of keywords of deMonNano

Pdf version of the 2009 manual can be downloaded from here

Pdf version of the keywords can be downloaded from here

GENERAL MOLECULAR INPUT

• GEOMETRY
• QUATERNION
• MOLECULES
• CHARGE
• MULTIPLICITY

POTENTIAL :

• DFTB
• PARAM

PROPERTIES :

• DIPOLE
• FREQUENCY

OPTIMIZATION :

• OPTIMIZATION

MOLECULAR DYNAMICS :

• MDYNAMICS
• TIMESTEP
• MDSTEPS
• CONSERVE
• MDCONSTRAINTS
• MDBATH
• MDTEMP
• CARPAR
• PARATEMP

MONTE CARLO :

• MONTECARLO
• MCTEMP

OUTPUT :

• PRINT