Implementing a Forcefield
Adding a forcefield to be packaged with Dissolve
It is not too onerous to implement a new forcefield of small to medium size in Dissolve. If you wish to do so, then great! You’ll be helping other users down the line, as well as making Dissolve more easily applicable to a wider variety of systems. In the easiest case, you don’t need any coding skills to do this - simply examining one of the other existing built-in forcefields should give you a good idea of what is required in terms of content and formatting. Once you’ve done that, the development team can handle the rest!
Get in touch with us to talk about the process.