pwtools.crys.mix

pwtools.crys.mix(st1, st2, alpha)[source]

Linear interpolation between two Structures based on the numbers in alpha. Returns a Trajectory.

Mix two structures as (1-alpha)*st1 + alpha*st2. coords and cell are used, as well as forces if present.

Parameters:

  • st1 (Structures) –

  • st2 (Structures) –

  • alpha (1d sequence) – parameter values for mixing

Returns:

tr – tr.nstep == len(alpha)

Return type:

Trajectory

Examples

>>> mix(st1, st2, linspace(0,1,50))