IMLCV.examples.example_systems#

Module Contents#

Functions#

alanine_dipeptide_yaff([bias, cv, k, project, ...])

mil53_yaff()

CsPbI3(cv, unit_cells[, folder, input_atoms, project, ...])

IMLCV.examples.example_systems.alanine_dipeptide_yaff(bias: None | Callable[[CollectiveVariable], Bias] = None, cv='backbone_dihedrals', k=5 * kjmol, project=True, lda_steps=500, num_kfda=1, kernel=True, harmonic=True, folder=None, kernel_type=None, alpha_rematch=0.1)[source]#
IMLCV.examples.example_systems.mil53_yaff()[source]#
IMLCV.examples.example_systems.CsPbI3(cv, unit_cells, folder=None, input_atoms=None, project=True, lda_steps=500)[source]#