Possible bug or inconvenience

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Feb 15 2012 - 04:06:34 CST

Hi Guys,


I just want to tell you that it is unfortunately possible to set switchdist
equal to cutoff which leads to VDW energy (-)infinite without an error or
warning. Sometimes it's hard to find such errors and it could be easily
excepted. Surely it's just a write error in an if clause (< / <=) and was
already planned to be caught. This could be changed maybe.


Thanks in advance.

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