How is pressure calculated

mdsimula... at mdsimula... at
Sun Jun 18 13:40:32 UTC 2017

Hello All,

When doing a force field based MD simulation, pressure can be calculated 
using the viral pressure or in a very basic since, the atom pair 

When doing ab initio MD, the pair interactions are not calculated, so my 
question: How is pressure calculate/determined?  Just some basic references 

Thanks for the help!
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