[Rings-code-news] ring problems

[chenjie gu <ar...@gm...>]

Hi all,
I just found a powerful tool to analyze the amorphous structure, I'd like to
show my appreciate to
the developers.
However I have several questions, the R.I.N.G. code will read all the MD
information from the XDATCAR (VASP output),
and then can be visualized by OpenDX, but i found that some how those
intermediate-step
information overlaps the
initial and final information, so how can I avoid this issue?
For example,
I'd like to compare the initial and final value of  grX_Y, so what can do
extract the individual value of gr for the initial
state and final state separately.

The other one is that I do not why we need to set the cutoff radius for
partials g(r) calculation?
Is there any criterion for setting this value?

Thanks a lot,
Yours Regards,
chenjie GU
EEE,Nanyang Technoligical University