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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1614 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-03-18 20:20:01 +00:00
parent d260cccc86
commit 4ca648bb1e
7 changed files with 66 additions and 10 deletions
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58
tools/matlab/readdump_all.m
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@ -1 +1,57 @@
function [varargout] = readdump_all(varargin)
function [varargout] = readdump_all(varargin)
% Reads all timesteps from a LAMMPS dump file.
% Input is dump file name with path
% Output is in the form of a structure with following variables
% .timestep --> Vector containing all time steps
% .Natoms --> Vector containing number of atoms at each time step
% .x_bound --> [t,2] array with xlo,xhi at each time step
% .y_bound --> [t,2] array with ylo,yhi at each time step
% .z_bound --> [t,2] array with zlo,zhi at each time step
% .atom_data --> 3 dimensional array with data at each time step stored
% as atomdata(:,:,t)
% Example
% data = readdump_all('dump.LAMMPS');
%
% See also readdump_one, scandump
%
% Author : Arun K. Subramaniyan
% sarunkarthi@gmail.com
% http://web.ics.purdue.edu/~asubrama/pages/Research_Main.htm
% School of Aeronautics and Astronautics
% Purdue University, West Lafayette, IN - 47907, USA.
try
dump = fopen(varargin{1},'r');
catch
error('Dumpfile not found!');
end
i=1;
while feof(dump) == 0
id = fgetl(dump);
switch id
case 'ITEM: TIMESTEP'
timestep(i) = str2num(fgetl(dump));
case 'ITEM: NUMBER OF ATOMS'
Natoms(i) = str2num(fgetl(dump));
case 'ITEM: BOX BOUNDS'
x_bound(i,:) = str2num(fgetl(dump));
y_bound(i,:) = str2num(fgetl(dump));
z_bound(i,:) = str2num(fgetl(dump));
case 'ITEM: ATOMS'
for j = 1 : 1: Natoms
atom_data(j,:,i) = str2num(fgetl(dump));
end
i=i+1;
end
end
%----------Outputs-------------
%OUTPUTS IN SAME VARIABLE STRUCTURE
varargout{1}.timestep = timestep;
varargout{1}.Natoms = Natoms;
varargout{1}.x_bound = x_bound;
varargout{1}.y_bound = y_bound;
varargout{1}.z_bound = z_bound;
varargout{1}.atom_data = atom_data;
%------------------------------
fclose(dump);