hello everyone,

i’m having some problem to calculate the pressure of a group of liquid-vapor. The calculated pressure seems to be high than what it should be. I’m using the following to calculate the pressure. Here i am calculating the diagonal components.

…

compute S L_V stress/atom mytemp

compute pLV L_V reduce sum c_S[1] c_S[2] c_S[3]

variable Pres equal -(c_pLV[1]+c_pLV[2]+c_pLV[3])/(3* volume of the region)

…

Thanks in advance for any help.

Best regards, Som Subhra.

hello everyone,

i'm having some problem to calculate the pressure of a group of

liquid-vapor. The calculated pressure seems to be high than what it should

be. I'm using the following to calculate the pressure. Here i am calculating

the diagonal components.

.........................................

compute S L_V stress/atom mytemp

compute pLV L_V reduce sum c_S[1] c_S[2] c_S[3]

variable Pres equal -(c_pLV[1]+c_pLV[2]+c_pLV[3])/(3* volume of the region)

.............................................

Thanks in advance for any help.

help with what? and on what grounds? there is nothing here.

axel.