<div dir="ltr">Aishwarya,<div><br></div><div>Can you attach a plot of what you are referring to? I'm assuming you are referring to the average values of pressure not being constant per timestep.</div><div><br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica"><span style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><span style="border-collapse:separate;color:rgb(0,0,0);font-family:Helvetica;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px"><div style="word-wrap:break-word"><div><div><font size="2">Thanks,</font></div><div><font size="2"><br></font></div><div><font size="2">Christopher Pashartis<br></font></div></div><div style="font-size:medium"><br></div></div></span><br></span><br></div></div></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Feb 22, 2024 at 4:45 AM aish k <<a href="mailto:aishwaryacomputationalphysics@gmail.com">aishwaryacomputationalphysics@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hello all <div>       , I am new to lammps and I am trying to calculate the coefficient of thermal expansion with npt ensembles but I am not getting constant average values of pressure . I have attached the script for the same . kindly suggest to me where i am getting wrong with npt ensemble.</div><div><br></div><div>Thanks ,</div><div>Aishwarya</div></div>

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