- sc_DiscreteConnollyShape
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DiscreteConnollyShape and ConnollyShape should produce the same result.
- sc_DistSCMatrixKit
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The DistSCMatrixKit produces matrices that work in a many processor environment.
- sc_DistShellPair
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Distributes shell pairs either statically or dynamically.
- sc_DistShellPair_SharedData
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This is used to store data that must be shared between all cooperating shell pairs.
- sc_EFCOpt
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The EFCOpt class implements eigenvector following as described by Baker in J.
- sc_ElectronDensity
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This is a Volume that computer the electron density.
- sc_enum_apps
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Enumerate the applications on a card
- sc_EriCints
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EriCints is a specialization of Int2eCints that computes electron repulsion integrals.
- sc_establish_context
-
Establish an OpenSC context
- sc_EulerMaclaurinRadialIntegrator
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An implementation of a radial integrator using the Euler-Maclaurin weights and grid points.
- sc_ExEnv
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The ExEnv class is used to find out about how the program is being run.
- sc_FeatureNotImplemented
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This is thrown when an attempt is made to use a feature that is not yet implemented.
- sc_FileGrp
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The FileGrp abstract class provides a way of accessing distributed file in a parallel machine.
- sc_FileOperationFailed
-
This is thrown when an operation on a file fails.
- sc_file_dup
-
Duplicate a file object
- sc_file_free
-
Free file object
- sc_file_new
-
Create a file object
- sc_file_t
-
OpenSC file structure
- sc_FinDispMolecularHessian
-
Computes the molecular hessian by finite displacements of gradients.
- sc_find_app_by_aid
-
Find an application on a card
- sc_find_pkcs15_app
-
Find a PKCS#15 application on a card
- sc_ForceLink
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This, together with ForceLinkBase, is used to force code for particular classes to be linked into executables.
- sc_ForceLinkBase
-
This, together with ForceLink, is used to force code for particular classes to be linked into executables.
- sc_format_apdu
-
Populate an APDU structure
- sc_format_asn1_entry
-
Fill in an ASN.1 entry structure
- sc_free_apps
-
Free application list
- sc_Function
-
The Function class is an abstract base class that, given a set of coordinates, will compute a value and possibly a gradient and hessian at that point.
- sc_G96XFunctional
-
Implements the Gill 1996 (G96) exchange functional.
- sc_GaussianBasisSet
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The GaussianBasisSet class is used describe a basis set composed of atomic gaussian orbitals.
- sc_GaussianBasisSet_ValueData
-
This holds scratch data needed to compute basis function values.
- sc_GaussianShell
-
A Gaussian orbital shell.
- sc_GaussLegendreAngularIntegrator
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An implementation of an angular integrator using the Gauss-Legendre weights and grid points.
- sc_GenPetite4
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This class is an abstract base to a generalized four index petite list.
- sc_get_cache_dir
-
Get the OpenSC cache directory
- sc_get_challenge
-
Request a challenge from a card
- sc_get_data
-
Get a primitive data object from a card
- sc_GPetite4
-
This class provides a generalized four index petite list.
- sc_GRTCints
-
GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods.
- sc_HessianUpdate
-
The HessianUpdate abstract class is used to specify a hessian update scheme.
- sc_HSOSHF
-
HSOSHF is a Hartree-Fock specialization of HSOSSCF.
- sc_HSOSKS
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This provides a Kohn-Sham implementation for restricted-orbital high-spin open-shell systems.
- sc_HSOSSCF
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The HSOSSCF class is a base for classes implementing a self-consistent procedure for high-spin open-shell molecules.
- sc_Identifier
-
Identifier's are used to distinguish and order objects.
- sc_Identity
-
Identity gives objects a unique identity and ordering relationship relative to all other objects.
- sc_IdentityTransform
-
The IdentityTransform is a special case of NonlinearTransform were no transformation takes place.
- sc_InputError
-
This is thrown when invalid input is provided.
- sc_Int1eCCA
-
Int1eCCA adapts CCA integrals components for use within SC.
- sc_Int1eCints
-
Int1eCints is used by OneBodyIntCints and OneBodyDerivIntCints to implement IntegralCints.
- sc_Int1eV3
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Int1eV3 is a class wrapper for the one body part of the C language IntV3 library.
- sc_Int2eCCA
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Int2eCCA adapts CCA integrals components for use within SC.