[ghemical-devel] Extending ghemical

[Jose R. Valverde]

Hi,

	I am trying to perform QMD with ghemical, and in the process I find
myself in need of extras which I can code myself.

	My questions are whether there is any documentation of the APIs -so
I can ensure I abide by conventions- and what is the procedure to revert back
any changes to the main branch.

	More specifically: control of trajectory replay speed is easy to code.
In my current implementation I check an environment variable (so as not to touch
ghemical user interface or command language). Is this acceptable? Should I read
a preferences file instead? I also need to control the frequency of data savings
for trajectories, which is also trivial to add. Same problem.

	Then, I would like to add support for other QM engines. Is there any
documentation on what is exactly needed for this?

	Thanks.
				j

-- 
			EMBnet/CNB
		Scientific Computing Service
	Solving all your computer needs for Scientific
			Research.

		http://bioportal.cnb.csic.es
		  http://www.es.embnet.org