Wednesday, April 9, 2008

How do I modify source code of Calc-Surface?

I want to use calc-surface with a large probe of 14 Angstroms but calc-surface seg faults when the probe is larger than 3 to 4 Å. I would like to modify the code to handler larger probes, can you point me in the right direction as to where to edit the code? I am using version 2.3.1.

The code you should be editing is called calc-surface.main.c which is in:


I would also be careful about some other scripts or sub-routines that this program calls. Most of the scripts are usually in the same dir. All the programs are in one of these three:
src-prog, src-pro2 and src-pro3.

1 comment:

Anonymous said...

keep quoting these dead white guys for a reason. We seem to be repeating some particularly nasty history, right now.