umang4002

Does the format of the coord.npy file as **73.57 and 7.357+e1** is creating this error? I am using dump files from lammps to create coord.npy, force.npy, box.npy and energy.npy for...

Using dp data the coord generated file contains the format 7.357+e1 but manually creating the same files the format was the former one. Can this be the source of error?

And if my dump file is in the format **id Type x y z fx fy fz.** Then using the command **dsys = dpdata.System("/content/dump.w_ni_fe_1900.lammpstrj", fmt="lammps/dump") dsys.to("deepmd/npy", "deepmd_data", set_size=dsys.get_nframes())** is only...

This is the data format I am using for training energy = [-245065.86684099, -245043.93657998, -245078.53004939, -245036.34437463, -245108.69610125, -245173.16775741, -245215.20799936, -245135.88491991, -245208.40294702,........,] force = array([[ 0.722155 , 1.66346 , 0.182122 ,...

However I ran another program with different data and this ran. This is the data which is running properly energy = [-245065.86684099, -245043.93657998, -245078.53004939, -245036.34437463, -245108.69610125, -245173.16775741, -245215.20799936, -245135.88491991, -245208.40294702,........,]...