Add force feild type parameters for inter-atom interaction

ywangd / mspms2

Automatically exported from code.google.com/p/mspms2

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Add force feild type parameters for inter-atom interaction #6

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago

Currently the code can only do LJ potential calculation for inter-atom
interactions. The LJ calculation is default. We should add an option
parameter to the input file. So the program can read it and know which
potential force field to use.

Original issue reported on code.google.com by ywa...@gmail.com on 28 Nov 2007 at 6:14

GoogleCodeExporter commented 9 years ago

This could be more than just add an option for the Force field. If we have to 
use
different Force field for different pair of atoms, it cannot be done by just 
adding
an option. 
The program has to recognize the pair of atoms and apply the proper force filed.

Original comment by ywa...@gmail.com on 28 Nov 2007 at 9:24