.. This file is automatically generated. Do not make changes as these will be overwritten. Rather edit the docstrings in the source code. ``micmec.sampling`` -- Phase-space sampling. ############################################ ``micmec.sampling.dof`` -- Abstraction layer for degrees of freedom. ==================================================================== .. automodule:: micmec.sampling.dof :members: ``micmec.sampling.iterative`` -- Base class for iterative algorithms. ===================================================================== .. automodule:: micmec.sampling.iterative :members: ``micmec.sampling.npt`` -- Barostats. ===================================== .. automodule:: micmec.sampling.npt :members: ``micmec.sampling.nvt`` -- Thermostats. ======================================= .. automodule:: micmec.sampling.nvt :members: ``micmec.sampling.opt`` -- Geometry optimization. ================================================= .. automodule:: micmec.sampling.opt :members: ``micmec.sampling.trajectory`` -- Trajectory writers. ===================================================== .. automodule:: micmec.sampling.trajectory :members: ``micmec.sampling.utils`` -- Auxiliary routines for initial velocities. ======================================================================= .. automodule:: micmec.sampling.utils :members: ``micmec.sampling.verlet`` -- The velocity Verlet algorithm. ============================================================ .. automodule:: micmec.sampling.verlet :members: