From owner-chemistry@ccl.net Wed Sep 20 23:28:00 2017
From: "Rakesh Srivastava allahabad.21{:}gmail.com" <owner-chemistry:_:server.ccl.net>
To: CCL
Subject: CCL: MC simulation of dense hard sphere system
Message-Id: <-53010-170920053537-22787-7AjbaxRlI7Fw6JMwVhMRsQ:_:server.ccl.net>
X-Original-From: Rakesh Srivastava <allahabad.21(~)gmail.com>
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Date: Wed, 20 Sep 2017 15:05:31 +0530
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Sent to CCL by: Rakesh Srivastava [allahabad.21=-=gmail.com]
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Hello everyone,

I am trying Monte Carlo simulation of a hard sphere system where 35% volume
is packed by spheres. I am using simple Metropolis scheme and generating
configurations by randomly selecting number of particles and giving them
random displacements in random directions. The problem I am facing is that
most of the times new configurations are rejected because of overlapping
spheres and acceptance I get is very low. What should I do for getter
better acceptance, I tried very small displacements also.

I will be very thankful if anyone could help me out.

Thanks in advance.

Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India

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<div dir=3D"ltr"><div><div><div>Hello everyone,</div><div><br></div>I am tr=
ying Monte Carlo simulation of a hard sphere system where 35% volume is pac=
ked by spheres. I am using simple Metropolis scheme and generating configur=
ations by randomly selecting number of particles and giving them random dis=
placements in random directions. The problem I am facing is that most of th=
e times new configurations are rejected because of overlapping spheres and =
acceptance I get is very low. What should I do for getter better acceptance=
, I tried very small displacements also.<br><br></div>I will be very thankf=
ul if anyone could help me out.<br><br></div>Thanks in advance. <br><br cle=
ar=3D"all"><div><div><div><div><div><div class=3D"gmail_signature" data-sma=
rtmail=3D"gmail_signature"><div dir=3D"ltr"><div><div dir=3D"ltr"><div><div=
 dir=3D"ltr"><div><div dir=3D"ltr"><div><div dir=3D"ltr"><div><div><font si=
ze=3D"2" color=3D"#000000">Rakesh Srivastava</font><br></div><div><font sty=
le=3D"background-color:rgb(255,255,255)" size=3D"2" color=3D"#444444">Resea=
rch Fellow</font></div><font size=3D"2" color=3D"#666666"></font></div><div=
><font size=3D"2" color=3D"#444444"><font size=3D"2">School of Computationa=
l <font size=3D"2">&amp; Integr<font size=3D"2">a</font>tive </font></font>=
Sciences<br></font></div><div><font size=3D"2" color=3D"#444444">Jawaharlal=
 Nehru University, New Delhi-110067<br></font></div><div><font size=3D"2" c=
olor=3D"#444444">India</font></div><br></div></div></div></div></div></div>=
</div></div></div></div></div>
</div></div></div></div></div>

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