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[lammps-users] Fwd: Doubt in LAMMPS: Loops and incrementing variables
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[lammps-users] Fwd: Doubt in LAMMPS: Loops and incrementing variables

From: ankur agrawal <ankur.agrawal1103@...24...>
Date: Sun, 2 Jul 2017 19:26:44 +0530

I am simulating Evaporating Sodium Droplet ( I am basically trying to reproduce results of attached paper). I am having dificulty in executing the counting algorithm which will basically count the number of atoms in vapor phase, liquid phase and in surface. The crieterion for phase is defined by the number of neighbors (specified in the research paper). There is some error in the loop. Please help me out
PFA the code attached
Yours Sincerely
Ankur Agrawal
FourthYear Dual Degree Student
Department of Chemical Engineering
Indian Institute of Technology, kanpur, India


Attachment: INPUT_In_Reduced_Units
Description: Binary data

Attachment: MD_sodium.pdf
Description: Adobe PDF document