A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.

10 lines
435 B

2 years ago
def Tetrahedron(element):
with open('{}_tetrahedron.xyz'.format(element),'w') as f:
print("""4
{} -1.97198893029705 0.52869350703018 -0.01999480282656
{} -1.88609335015628 2.89785563439104 0.21239667365365
{} -0.64863258875857 1.82514619388775 -1.51740948337694
{} -3.02558513078810 1.92320466469102 -1.63849238745014""".format(element,element,element,element),file=f)
return