Merge pull request #838 from... (d9c62788) · Commits · 郑智淋 / lammps

tools/matlab/readdump_all.m

+3 −3

Original line number	Diff line number	Diff line
		@@ -29,13 +29,13 @@ end
		i=1;
		while feof(dump) == 0
		id = fgetl(dump);
		if (strcmpi(id,'ITEM: TIMESTEP'))
		if (strncmpi(id,'ITEM: TIMESTEP',numel('ITEM: TIMESTEP')))
		timestep(i) = str2num(fgetl(dump));
		else
		if (strcmpi(id,'ITEM: NUMBER OF ATOMS'))
		if (strncmpi(id,'ITEM: NUMBER OF ATOMS',numel('ITEM: NUMBER OF ATOMS')))
		Natoms(i) = str2num(fgetl(dump));
		else
		if (strcmpi(id,'ITEM: BOX BOUNDS'))
		if (strncmpi(id,'ITEM: BOX BOUNDS',numel('ITEM: BOX BOUNDS')))
		x_bound(i,:) = str2num(fgetl(dump));
		y_bound(i,:) = str2num(fgetl(dump));
		z_bound(i,:) = str2num(fgetl(dump));

+4 −4

Original line number	Diff line number	Diff line
		@@ -46,21 +46,21 @@ else
		end
		while done == 0 & last_status == 0
		id = fgetl(dump);
		if (strcmpi(id,'ITEM: TIMESTEP'))
		if (strncmpi(id,'ITEM: TIMESTEP',numel('ITEM: TIMESTEP')))
		if t == 0
		timestep(i) = str2num(fgetl(dump));
		t=1;
		end
		else
		if (strcmpi(id,'ITEM: NUMBER OF ATOMS'))
		if (strcmpi(id,'ITEM: NUMBER OF ATOMS',numel('ITEM: NUMBER OF ATOMS')))
		Natoms = str2num(fgetl(dump));
		else
		if (strcmpi(id,'ITEM: BOX BOUNDS'))
		if (strcmpi(id,'ITEM: BOX BOUNDS',numel('ITEM: BOX BOUNDS')))
		x_bound(1,:) = str2num(fgetl(dump));
		y_bound(1,:) = str2num(fgetl(dump));
		z_bound(1,:) = str2num(fgetl(dump));
		else
		if (strcmpi(id(1:11),'ITEM: ATOMS'))
		if (strncmpi('ITEM: ATOMS',numel('ITEM: ATOMS')))
		atom_data = zeros(Natoms,ncol);%Allocate memory for atom data
		for j = 1 : 1: Natoms
		atom_data(j,:) = str2num(fgetl(dump));