Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re^3: Regarding usage of NONVDW...

Alex Granovsky
gran@classic.chem.msu.su


Dear Siddheshwar,

On Sat Dec 13 '14 10:01am, Siddheshwar Chopra wrote
---------------------------------------------------
>>Dear Alex,
>I mean any loss or imperfected values due to the use of NONVDW.  

any loss or imperfect values of what exactly?


Kind regards,
Alex Granovsky


>On Sat Dec 13 '14 9:56am, Alex Granovsky wrote
>----------------------------------------------
>>Dear Siddheshwar,

>>What do you mean by negative effect on claculations?

>>Kind regards,
>>Alex Granovsky
>>
>>
>>On Fri Dec 12 '14 6:46pm, Siddheshwar Chopra wrote
>>--------------------------------------------------
>>>Dear All,
>>>I need to know about using NONVDW. It is known that if we add too many atom pairs in it, then the cpu time will increase. But I want to know does adding more atom pairs CHANGE or affect any properties of the sample? I mean is there negative affect on the calculations?

>>>Kind Regards,


[ Previous ] [ Next ] [ Index ]           Sat Dec 13 '14 11:03am
[ Reply ] [ Edit ] [ Delete ]           This message read 404 times