Namespace List

Here is a list of all documented namespaces with brief descriptions:

[detail level 12]

NC6
NCitations
▼ND3	DFT-D3 parameters for all elements
CAtomParams	Parameter set per atom type
CPairParams	Parameter set per pair of atom types
NFex_H2O_FittedCorrelations_internal
NMinimizeLinmin	Line minimization methods Each of the linmin methods in this namespace advance the parameters in obj along direction d. updating the energy E, gradient g, and the step-size alpha. The return value specifies if the step succeeded at reducing E. If the step fails, alpha MUST contain the total progress along dir. made by this step, so that minimize may reset it back to the original value
▼NNonlinearPCMeval	Helper classes for NonlinearPCM
CScreening	Helper class for ionic screening portion of NonlinearPCM
CDielectric	Helper class for dielectric portion of NonlinearPCM
NQuinticSpline	C4-continuous interpolation using quintic splines
NRandom	Random number generation
NShapeFunction	Original shape function from [24], [15] and [12]
NShapeFunctionCANDLE	Shape function in CANDLE [32]
NShapeFunctionSCCS	Shape function for SCCS models [1]
NShapeFunctionSGA13	Shape function for [35]
NShapeFunctionSoftSphere	Shape function for the soft-sphere model [7]
NXC_Analysis
NYlmInternal