pwtools._flib.vacf

pwtools._flib.vacf = <fortran function vacf>

c = vacf(v,m,c,method,use_m,[nthreads,natoms,nstep])

Wrapper for vacf.

Parameters:

• v (input rank-3 array('d') with bounds (nstep,natoms,3)) –

• m (input rank-1 array('d') with bounds (natoms)) –

• c (input rank-1 array('d') with bounds (nstep)) –

• method (input int) –

• use_m (input int) –

• nthreads (input int) –

• natoms (input int, optional) – Default: shape(v, 1)

• nstep (input int, optional) – Default: shape(v, 0)

Returns:

c

Return type:

rank-1 array(‘d’) with bounds (nstep)