示例#1
0
def printpath(fout, coordslist):
    nimages = len(coordslist[:, 0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i, :])
示例#2
0
文件: ljrun.py 项目: js850/PyGMIN
def printpath(fout, coordslist):
    nimages = len(coordslist[:,0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i,:])
示例#3
0
文件: bljrun.py 项目: js850/PyGMIN
def printpath(fout, coordslist, atomtypes=["LA"]):
    nimages = len(coordslist[:, 0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i, :], atom_type=atomtypes)
示例#4
0
文件: bljrun.py 项目: yfyh2013/PyGMIN
def printpath(fout, coordslist, atomtypes = ["LA"]):
    nimages = len(coordslist[:,0])
    for i in range(nimages):
        printAtomsXYZ(fout, coordslist[i,:], atom_type=atomtypes)