Source code for pyscf.tools.ring

# Copyright 2014-2018 The PySCF Developers. All Rights Reserved.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.

import numpy



def make(nat, b=1.):
    r = b/2 / numpy.sin(numpy.pi/nat)
    atms = []
    for i in range(nat):
        theta = i * (2*numpy.pi/nat)
        atms.append((r*numpy.cos(theta), r*numpy.sin(theta), 0))
    return atms


if __name__ == '__main__':
    for c in make(6):
        print(c)