- sc_Thread
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The Thread abstract class defines an interface which must be implemented by classes wishing to be run as threads.
- sc_ThreadGrp
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The ThreadGrp abstract class provides a means to manage separate threads of control.
- sc_ThreadLock
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The ThreadLock abstract class provides mutex locks to be used in conjunction with ThreadGrp's.
- sc_ThreadLockHolder
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Acquire a lock on creation and release it on destruction.
- sc_Timer
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The Timer class uses RegionTimer to time intervals in an exception safe manner.
- sc_ToleranceExceeded
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This is thrown when when some tolerance is exceeded.
- sc_TorsSimpleCo
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The TorsSimpleCo class describes an torsion internal coordinate of a molecule.
- sc_TranslateData
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Generic data translation.
- sc_TranslateDataByteSwap
-
Data translation to an external representation with bytes swapped.
- sc_TranslateDataIn
-
Convert data from other formats.
- sc_TranslateDataOut
-
Convert data to other formats.
- sc_transmit_apdu
-
Transmit an APDU structure
- sc_TwoBodyDerivInt
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This is an abstract base type for classes that compute integrals involving two electrons.
- sc_TwoBodyDerivIntCCA
-
This implements two body derivative integrals through the CCA interface.
- sc_TwoBodyDerivIntCints
-
This implements electron repulsion derivative integrals in the IntV3 library.
- sc_TwoBodyDerivIntV3
-
This implements electron repulsion derivative integrals in the IntV3 library.
- sc_TwoBodyGrid
-
Class TwoBodyGrid describes a set of coordinates of 2 particles.
- sc_TwoBodyInt
-
This is an abstract base type for classes that compute integrals involving two electrons.
- sc_TwoBodyIntCCA
-
This implements two body integrals through the CCA interface.
- sc_TwoBodyIntCints
-
This implements electron repulsion integrals in the IntCints library.
- sc_TwoBodyIntV3
-
This implements electron repulsion integrals in the IntV3 library.
- sc_TwoBodyMOIntsTransform
-
TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO transformation.
- sc_TwoBodyMOIntsTransform_ijxy
-
TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct AO->MO transformation.
- sc_TwoBodyMOIntsTransform_ikjy
-
TwoBodyMOIntsTransform_ikjy computes (ik|jy) integrals using parallel integrals-direct AO->MO transformation.
- sc_TwoBodyMOIntsTransform_ixjy
-
TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation.
- sc_TwoBodyMOIntsTransform_MOSpaces
-
Predefined enumerated type for the MO spaces.
- sc_TwoBodyThreeCenterDerivInt
-
This is an abstract base type for classes that compute three centers integrals involving two electrons.
- sc_TwoBodyThreeCenterInt
-
This is an abstract base type for classes that compute integrals involving two electrons in three Gaussian functions.
- sc_TwoBodyThreeCenterIntV3
-
This implements electron repulsion integrals involving three centers in the IntV3 library.
- sc_TwoBodyTwoCenterDerivInt
-
This is an abstract base type for classes that compute two centers integrals involving two electrons.
- sc_TwoBodyTwoCenterInt
-
This is an abstract base type for classes that compute integrals involving two electrons in two Gaussian functions.
- sc_TwoBodyTwoCenterIntV3
-
This implements electron repulsion integrals involving two centers in the IntV3 library.
- sc_UHF
-
This provides an unrestricted Hartree-Fock implementation.
- sc_UKS
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This provides a Kohn-Sham implementation for unrestricted-orbital open-shell systems.
- sc_UnionShape
-
A UnionShape is volume enclosed by a set of Shape's.
- sc_Units
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The Units class is used to perform unit converions.
- sc_unlock
-
Unlock a card
- sc_UnrestrictedSCF
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A base class for unrestricted self-consistent-field methods.
- sc_update_binary
-
Write to an existing file
- sc_update_dir
-
Update application directory on a card
- sc_update_record
-
Write a record to an existing file
- sc_VDWShape
-
The VDWShape class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom.
- sc_Volume
-
A Volume is a Function of three variables.
- sc_VWN1LCFunctional
-
The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).
- sc_VWN2LCFunctional
-
The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair).
- sc_VWN3LCFunctional
-
The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair).
- sc_VWN4LCFunctional
-
The VWN4LCFunctional computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair).
- sc_VWN5LCFunctional
-
The VWN5LCFunctional computes energies and densities using the VWN5 local correlation term (from Vosko, Wilk, and Nusair).
- sc_VWNLCFunctional
-
An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived.
- sc_wait_for_event
-
Wait for an event on a smart card reader