Create a guesthost package #3
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- analyisis/function_module.py:
- Fix division by zero
- Lattice class:
- Add helper functions, `shift_index`, `get_motif`.
- Add analysis functions, `pb_enviroment_coords`,
`br_environment_coords`, `pb_br_pb_angle`,
`pb_br_pb_angle_hostrelative`, `br_distance_from_plane`.
- LatticeTrajectory class:
- Add helper function, `compute_for_all_cells`.
- Add option to specify index of origin to `pbc_vectors` function.
- Store the atoms object corresponding to each Fragment in the Fragment
class.
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I have made the guesthost code a package which can be installed with pip and tested easily. The instructions are mentioned in a README file. Also, examples of usage are present in the tests directory.
To install the code, one can go to the package directory and do
pip install .