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  • Giovanni Bussi's avatar
    15dbc5c0
    Simplified virial calculation in GHOST · 15dbc5c0
    Giovanni Bussi authored 
    Similarly to what happens in Colvar class, I made
also for ActionWithVirtualAtom a method setBoxDerivativesNoPbc
that can be used to set the virial contribution when the Pbc have not
been used in the calculation of derivatives.

This should make the addition of new vatom actions easier
    15dbc5c0
    History
    Simplified virial calculation in GHOST
    Giovanni Bussi authored 
    Similarly to what happens in Colvar class, I made
also for ActionWithVirtualAtom a method setBoxDerivativesNoPbc
that can be used to set the virial contribution when the Pbc have not
been used in the calculation of derivatives.

This should make the addition of new vatom actions easier
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