因此,我编写了一个简短的 Python 程序来模拟 2D 中的扩散;本质上,每个粒子都表现得像一个随机游走者。输出是一个 3D 张量,对于 4 个粒子和 10 个时间步长,如下所示:
[[[ 0. 0. ]
[-0.16043999 -0.9870456 ]
[-1.09597489 -1.34027986]
[-2.08225903 -1.17522353]
[-1.76925893 -0.22547044]
[-2.01800797 -1.19403841]
[-2.15515569 -2.18458902]
[-1.32309938 -1.62989786]
[-2.27406193 -1.9392039 ]
[-1.90350731 -1.01039322]]
[[ 0. 0. ]
[-0.6938323 -0.72013662]
[-0.36299996 -1.66382617]
[ 0.5186036 -1.19183553]
[ 0.34714146 -0.20664482]
[ 1.31071192 -0.47409941]
[ 2.25711798 -0.1511202 ]
[ 1.58434992 -0.89097365]
[ 1.3892911 0.0898179 ]
[ 0.94147109 -0.80430583]]
[[ 0. 0. ]
[ 0.99886494 0.04763229]
[ 1.5346788 0.89196842]
[ 0.81263989 1.58382086]
[-0.18631285 1.62957497]
[ 0.75609885 1.96403003]
[-0.06263107 1.38985122]
[-0.1323122 0.3922819 ]
[ 0.8338982 0.13452725]
[ 1.05742482 1.10922508]]
[[ 0. 0. ]
[ 0.04440308 0.9990137 ]
[ 0.86574242 0.42857379]
[ 1.16274132 -0.52630403]
[ 1.43873896 0.43485428]
[ 2.10741306 -0.30870133]
[ 1.74826957 0.62458103]
[ 1.44620452 1.57786834]
[ 1.31735411 2.56953238]
[ 0.73397918 1.75732939]]]
因此,每个块是 1 个粒子,列是 x 和 y 坐标,行显示连续的时间步长。现在,我想将其插入 VMD 以可视化粒子轨迹。VMD 电影格式应该如何看?
我感谢大家的帮助!