ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
Namespaces | Functions | Variables
finite_difference.py File Reference

Go to the source code of this file.

Namespaces

 src.finite_difference
 

Functions

def src.finite_difference.f1d2p (f, h, f0=None)
 A two-point finite difference stencil. More...
 
def src.finite_difference.f1d5p (f, h)
 A highly accurate five-point finite difference stencil for computing derivatives of a function. More...
 
def src.finite_difference.f1d7p (f, h)
 A highly accurate seven-point finite difference stencil for computing derivatives of a function. More...
 
def src.finite_difference.f12d7p (f, h)
 
def src.finite_difference.f12d3p (f, h, f0=None)
 A three-point finite difference stencil. More...
 
def src.finite_difference.f2var (f, h)
 A finite difference stencil for a function of two variables. More...
 
def src.finite_difference.in_fd ()
 Invoking this function from anywhere will tell us whether we're being called by a finite-difference function. More...
 
def src.finite_difference.in_fd_srch ()
 Invoking this function from anywhere will tell us whether we're being called by a finite-difference function. More...
 
def src.finite_difference.fdwrap (func, mvals0, pidx, key=None, kwargs)
 A function wrapper for finite difference designed for differentiating 'get'-type functions. More...
 
def src.finite_difference.fdwrap_G (tgt, mvals0, pidx)
 A driver to fdwrap for gradients (see documentation for fdwrap) Inputs: tgt = The Target containing the objective function that we want to differentiate mvals0 = The 'central' values of the mathematical parameters - i.e. More...
 
def src.finite_difference.fdwrap_H (tgt, mvals0, pidx)
 A driver to fdwrap for Hessians (see documentation for fdwrap) Inputs: tgt = The Target containing the objective function that we want to differentiate mvals0 = The 'central' values of the mathematical parameters - i.e. More...
 

Variables

 src.finite_difference.logger = getLogger(__name__)