usccacs / xtal Goto Github PK

Split them using an argument in the identical_sort method call

Should ideally read and store all fields in any order specified in the dump file. This will require a lot of testing

Should be straightforward. Can base it off of the existing read_vasp method

• Potentially opens module to larger trajectories
• Can maybe do random reads

@nbaradwaj91 may be interested

The current method simply loops over the snapshot method. This has the overhead of constantly opening and closing the file.

Cloned xtal breaks because progressbar is not a commonly installed package. It doesn't add much value to xtal anyway

ID, type, x, y, z, xs, ys, zs, vx, vy, vz are all straightforward