Master

Top-level project settings.

[master]
name            = aspirin
molecule_path   = ["./aspirin.xyz"]
Z               = 4
log_level       = info

name : str.

Project name, used for output directories and log files.

molecule_path : list[str].

Paths to conformer geometry files.

Note

Any format supported by ase.io.read() works.

Z : int.

Number of molecules per unit cell.

log_level : str | default = info.

Python logging level (debug, info, warning, error).