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Commit 23460b79 authored by Studer Gabriel's avatar Studer Gabriel
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properly describe the abort criteria in minimization algorithms plus

some typos
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......@@ -63,7 +63,7 @@ mapped back to the attached structure at any time.
.. method:: Load(filename)
Loads a dumped simulation from disk. You have to make sure, that the provided
settings are consistent with those from the saved simualtion. Undefined
settings are consistent with those from the saved simulation. Undefined
behaviour must be expected otherwise.
:param filename: Filename
......@@ -74,31 +74,38 @@ mapped back to the attached structure at any time.
.. method:: ApplyLBFGS([tolerance=1.0,max_iterations=1000])
Run minimization using the Limited-memory Broyden–Fletcher–Goldfarb–Shanno (L-BFGS) method.
Run minimization using the Limited-memory Broyden–Fletcher–Goldfarb–Shanno
(L-BFGS) method.
:param tolerance: Tolerance descrining abort criteria of minimization
:param max_iterations: Maximum number of minimization iterations
:param tolerance: Tolerance describing abort criteria of minimization.
The tolerance is interpreted as the root mean square
value of all force components.
:param max_iterations: Maximum number of minimization iterations
:type tolerance: :class:`float`
:type max_iterations: :class:`int`
.. method:: ApplySD(tolerance,max_iterations)
.. method:: ApplySD([tolerance=100,max_iterations=1000])
Run minimization using the Steepest-Descend method.
Run minimization using the steepest descend method.
:param tolerance: Tolerance descrining abort criteria of minimization
:param tolerance: Tolerance describing abort criteria of minimization.
The tolerance is interpreted as the norm of the maximum
force acting onto the particles.
:param max_iterations: Maximum number of minimization iterations
:type tolerance: :class:`float`
:type max_iterations: :class:`int`
:returns: :class:`bool` whether tolerance has been reached
.. method:: Steps(steps)
Runs the simulation for **steps** number of steps.
:param steps: Number of steps
:types: :class:`int`
:param steps: Number of steps to perform
:type steps: :class:`int`
.. method:: GetPositions([enforce_periodic_box = false, in_angstrom = true])
......
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