Force fields

Force fields (FFs) are specified at force_type keyword in in.pmd file. Plural FFs can be specified as a space-separated list,

force_type    NN Morse Coulomb

Each FF reads one or some parameter files in the working directory, which are usually named like in.params.Coulomb or so, specified by FF. For example, DNN requires two files, in.params.DNN (file for weights in NN) and in.params.desc (file for descriptor information).

Available FFs are listed below:

• force_fields/angular
• force_fields/DNN
• force_fields/Coulomb
• force_fields/Morse
• force_fields/SW
• Lennard-Jones (Ar)
• Linear regression