PYGMIN & DMACRYS

PYGMIN (or minGMIN) is a python implementation of some of the important DMACRYS / OPTIM functionality. It has a strong focus on an object oriented & modular design which makes it very powerful to try new functionality. A separate section on for it on the wiki is planned.

Download GMIN from https://github.com/js850/minGMIN

In pygmin there is no keyword file. Instead everything is controlled via scripts. To use PYGMIN, GMIN has to be compiled with PYTHON enabled and the PYTHONPATH must point to the build folder.

 export PYTHONPATH="/where/GMIN/was/built:$PYTHONPATH"

The interface is still changing, but to see a running example, including a gui check the folder

 examples/dmacrys

in PYGMIN.