# sc_OverlapOrthog - Man Page

This class computes the orthogonalizing transform for a basis set.

## Synopsis

`#include <orthog.h>`

Inherits **sc::SavableState**.

### Public Types

enum **OrthogMethod** { **Symmetric** =1, **Canonical** =2, **GramSchmidt** =3 }

An enum for the types of orthogonalization.

### Public Member Functions

**OverlapOrthog** (**OrthogMethod** method, const **RefSymmSCMatrix** &overlap, const **Ref**< **SCMatrixKit** > &result_kit, double lindep_tolerance, int debug=0)**OverlapOrthog** (**StateIn** &)

void **save_data_state** (**StateOut** &)

Save the base classes (with save_data_state) and the members in the same order that the **StateIn** CTOR initializes them.

void **reinit** (**OrthogMethod** method, const **RefSymmSCMatrix** &overlap, const **Ref**< **SCMatrixKit** > &result_kit, double lindep_tolerance, int debug=0)

double **min_orthog_res** () const

double **max_orthog_res** () const**Ref**< **OverlapOrthog** > **copy** () const**OrthogMethod orthog_method** () const

Returns the orthogonalization method.

double **lindep_tol** () const

Returns the tolerance for linear dependencies. **RefSCMatrix basis_to_orthog_basis** ()

Returns a matrix which does the requested transform from a basis to an orthogonal basis. **RefSCMatrix basis_to_orthog_basis_inverse** ()

Returns the inverse of the transformation returned by basis_to_orthog_basis. **RefSCDimension dim** ()**RefSCDimension orthog_dim** ()

int **nlindep** ()

Returns the number of linearly dependent functions eliminated from the orthogonal basis.

Public Member Functions inherited from **sc::SavableState****SavableState** & **operator=** (const **SavableState** &)

void **save_state** (**StateOut** &)

Save the state of the object as specified by the **StateOut** object.

void **save_object_state** (**StateOut** &)

This can be used for saving state when the exact type of the object is known for both the save and the restore.

virtual void **save_vbase_state** (**StateOut** &)

Save the virtual bases for the object.

Public Member Functions inherited from **sc::DescribedClass****DescribedClass** (const **DescribedClass** &)**DescribedClass** & **operator=** (const **DescribedClass** &)**ClassDesc** * **class_desc** () const throw ()

This returns the unique pointer to the **ClassDesc** corresponding to the given type_info object.

const char * **class_name** () const

Return the name of the object's exact type.

int **class_version** () const

Return the version of the class.

virtual void **print** (std::ostream &=**ExEnv::out0**()) const

Print the object.

Public Member Functions inherited from **sc::RefCount**

int **lock_ptr** () const

Lock this object.

int **unlock_ptr** () const

Unlock this object.

void **use_locks** (bool inVal)

start and stop using locks on this object

refcount_t **nreference** () const

Return the reference count.

refcount_t **reference** ()

Increment the reference count and return the new count.

refcount_t **dereference** ()

Decrement the reference count and return the new count.

int **managed** () const

void **unmanage** ()

Turn off the reference counting mechanism for this object.

int **managed** () const

Return 1 if the object is managed. Otherwise return 0.

Public Member Functions inherited from **sc::Identity****Identifier identifier** ()

Return the **Identifier** for this argument.

### Additional Inherited Members

Static Public Member Functions inherited from **sc::SavableState**

static void **save_state** (**SavableState** *s, **StateOut** &)

static **SavableState** * **restore_state** (**StateIn** &si)

Restores objects saved with save_state.

static **SavableState** * **key_restore_state** (**StateIn** &si, const char *keyword)

Like restore_state, but keyword is used to override values while restoring.

static **SavableState** * **dir_restore_state** (**StateIn** &si, const char *objectname, const char *keyword=0)

Protected Member Functions inherited from **sc::SavableState****SavableState** (const **SavableState** &)**SavableState** (**StateIn** &)

Each derived class **StateIn** CTOR handles the restore corresponding to calling save_object_state, save_vbase_state, and save_data_state listed above.

Protected Member Functions inherited from **sc::RefCount****RefCount** (const **RefCount** &)**RefCount** & **operator=** (const **RefCount** &)

## Detailed Description

This class computes the orthogonalizing transform for a basis set.

## Member Function Documentation

### RefSCMatrix sc::OverlapOrthog::basis_to_orthog_basis ()

Returns a matrix which does the requested transform from a basis to an orthogonal basis. This could be either the symmetric or canonical orthogonalization matrix. The row dimension is the basis dimension and the column dimension is orthogonal basis dimension. An operator $O$ in the orthogonal basis is given by $X O X^T$ where $X$ is the return value of this function.

### void sc::OverlapOrthog::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the **StateIn** CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from **sc::SavableState**.

## Author

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