simplify

Author: brucefan1983

examples/gpumd_dynamic/plot_thermo.m

@@ -1,11 +1,11 @@
 clear; close all;
 
-data = table2array(readtable('thermo.out', 'FileType', 'text', 'CommentStyle', '#'));
+load thermo.out;
 
-t = (1:size(data,1))*0.01;
+t = (1:size(thermo,1))*0.01;
 
 figure;
-plot(t, data(:,1));
+plot(t, thermo(:,1));
 xlabel('Time (ps)');
 ylabel('Temperature (K)');
 

examples/gpumd_dynamic/thermo.out

@@ -1,21 +1,3 @@
-# col 1: T K
-# col 2: K eV
-# col 3: U eV
-# col 4: Pxx GPa
-# col 5: Pyy GPa
-# col 6: Pzz GPa
-# col 7: Pyz GPa
-# col 8: Pzx GPa
-# col 9: Pxy GPa
-# col 10: ax A
-# col 11: ay A
-# col 12: az A
-# col 13: bx A
-# col 14: by A
-# col 15: bz A
-# col 16: cx A
-# col 17: cy A
-# col 18: cz A
     3.2901675025e+02    1.0632188211e+01   -9.3233109522e+02    2.5264497095e+00    2.3874599720e+00    2.2408542079e+00   -3.4999634436e-02   -1.0998127630e-02    2.4265131671e-02    0.0000000000e+00    1.6425982650e+01    1.6425982650e+01    1.6425982650e+01    0.0000000000e+00    1.6425982650e+01    1.6425982650e+01    1.6425982650e+01    0.0000000000e+00
     3.7768877384e+02    1.2205026418e+01   -9.3354942107e+02    2.4813589890e+00    2.3383718954e+00    2.1892942028e+00   -3.3589290751e-02   -7.5052532169e-03    2.3182020496e-02    0.0000000000e+00    1.6425982650e+01    1.6425982650e+01    1.6425982650e+01    0.0000000000e+00    1.6425982650e+01    1.6425982650e+01    1.6425982650e+01    0.0000000000e+00
     4.1280651672e+02    1.3339857552e+01   -9.3508436656e+02    2.4092906027e+00    2.2613438205e+00    2.1146969118e+00   -3.5966813685e-02   -9.0295475387e-03    1.2172690049e-02    0.0000000000e+00    1.6425982650e+01    1.6425982650e+01    1.6425982650e+01    0.0000000000e+00    1.6425982650e+01    1.6425982650e+01    1.6425982650e+01    0.0000000000e+00