def printpath(fout, coordslist): nimages = len(coordslist[:, 0]) for i in range(nimages): printAtomsXYZ(fout, coordslist[i, :])
def printpath(fout, coordslist): nimages = len(coordslist[:,0]) for i in range(nimages): printAtomsXYZ(fout, coordslist[i,:])
def printpath(fout, coordslist, atomtypes=["LA"]): nimages = len(coordslist[:, 0]) for i in range(nimages): printAtomsXYZ(fout, coordslist[i, :], atom_type=atomtypes)
def printpath(fout, coordslist, atomtypes = ["LA"]): nimages = len(coordslist[:,0]) for i in range(nimages): printAtomsXYZ(fout, coordslist[i,:], atom_type=atomtypes)