Exemplo n.º 1
0
def printpath(fout, coordslist):
    nimages = len(coordslist[:, 0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i, :])
Exemplo n.º 2
0
def printpath(fout, coordslist):
    nimages = len(coordslist[:,0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i,:])
Exemplo n.º 3
0
def printpath(fout, coordslist, atomtypes=["LA"]):
    nimages = len(coordslist[:, 0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i, :], atom_type=atomtypes)
Exemplo n.º 4
0
def printpath(fout, coordslist, atomtypes = ["LA"]):
    nimages = len(coordslist[:,0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i,:], atom_type=atomtypes)