CSHBuilder.build#
- CSHBuilder.build(supercell=None, model='tob11a_merlino.cif', min_mcl=3.0, symmetry=True, _progress_callback=None)[source]#
Build C-S-H using the classic tobermorite-based approach.
- Parameters:
- supercellSequence[int], optional
Supercell dimensions [a, b, c]. Defaults: [3,5,1] for ‘tob11a_hamid.cif’, [4,1,1] for ‘tob11a_merlino.cif’
- modelstr, default=’tob11a_merlino.cif’
Tobermorite model (‘tob11a_hamid.cif’ or ‘tob11a_merlino.cif’).
- min_mclfloat, default=3.0
Minimum mean chain length.
- symmetrybool, default=True
Remove bridging silicates symmetrically.
- Returns:
- AtomicSystem
The built C-S-H structure.
Examples
>>> builder = CSHBuilder(cs_ratio=1.5, ws_ratio=1.0) >>> system = builder.build( ... supercell=[4,1,1], ... model='tob11a_merlino.cif' ... )