Keywords

Here is the list of keywords for the beta version of deMonNano

As you are using a beta version of the code, you are invited to be very carrefull with the obtained results. If something is getting wrong in your opinion with this beta version, you are invited to contribute to improve the code.

Pdf version of the 2009 manual can be downloaded from here

Pdf version of the keywords can be downloaded from here

• MOLECULES
• CUTSYS
• PARAM
• CHARGE
• GEOMETRY
• MULTIPLICITY
• OPTIMIZATION
• NEB
• MONTECARLO
• MCTEMP
• MSTATS
• PATHS
• FREQUENCY
• DIPOLE
• MDYNAMICS
• QUATERNION
• MDSTEPS
• MDTEMP
• TIMESTEP
• MDBATH
• CONSERVE
• MDCONSTRAINTS
• BONDPARAM
• MDPRESSURE
• METADYNAMICS
• PRNG
• PARATEMP
• VISUALIZATION
• FORCEFIELD
• QMMM
• DFTB
• PRINT
• CARPAR
• BAND