.. This file is automatically generated. Do not make changes as these will be overwritten. Rather edit the docstrings in the source code. ``yaff.sampling`` -- Phase-space sampling ######################################### ``yaff.sampling.dof`` -- Abstraction layer for degrees of freedom ================================================================= .. automodule:: yaff.sampling.dof :members: ``yaff.sampling.harmonic`` -- Harmonic models ============================================= .. automodule:: yaff.sampling.harmonic :members: ``yaff.sampling.io`` -- Trajectory writers ========================================== .. automodule:: yaff.sampling.io :members: ``yaff.sampling.iterative`` -- Base class for iterative algorithms ================================================================== .. automodule:: yaff.sampling.iterative :members: ``yaff.sampling.npt`` -- Barostats ================================== .. automodule:: yaff.sampling.npt :members: ``yaff.sampling.nvt`` -- Thermostats ==================================== .. automodule:: yaff.sampling.nvt :members: ``yaff.sampling.opt`` -- Geometry/Cell optimization =================================================== .. automodule:: yaff.sampling.opt :members: ``yaff.sampling.trajectory`` -- Computations on a reference trajectory ====================================================================== .. automodule:: yaff.sampling.trajectory :members: ``yaff.sampling.utils`` -- Auxiliary routines for initial velocities ==================================================================== .. automodule:: yaff.sampling.utils :members: ``yaff.sampling.verlet`` -- Generic Verlet integrator ===================================================== .. automodule:: yaff.sampling.verlet :members: