---
name: "sc_RedundMolecularCoor"
section: "3"
platform: "linux"
package: "libsc-doc"
version: "2.3.1-22"
release: "Debian 12 (Bookworm)"
platforms: ["linux"]
url: "https://new.carta.tech/sc_RedundMolecularCoor"
---

# sc\_RedundMolecularCoor(3)

The RedundMolecularCoor class provides a redundant set of simple internal coordinates.

## NAME

sc::RedundMolecularCoor - The **RedundMolecularCoor** class provides a redundant set of simple internal coordinates.

## SYNOPSIS

`#include <coor.h>`

Inherits **sc::IntMolecularCoor**.

### Public Member Functions

**RedundMolecularCoor** (**Ref**\< **Molecule** \> &mol)\
 **RedundMolecularCoor** (**StateIn** &)\
 **RedundMolecularCoor** (const **Ref**\< **KeyVal** \> &)\
 The **KeyVal** constructor.  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 **form\_coordinates** (int keep\_variable=0)\
 Actually form the variable and constant internal coordinates from the simple internal coordinates.  void **guess\_hessian** (**RefSymmSCMatrix** &hessian)\
 Form the approximate hessian.  **RefSymmSCMatrix** **inverse\_hessian** (**RefSymmSCMatrix** &)\
 Invert the hessian.

### Additional Inherited Members

## Detailed Description

The **RedundMolecularCoor** class provides a redundant set of simple internal coordinates.

## Member Function Documentation

### void sc::RedundMolecularCoor::form\_coordinates (int keep\_variable = `0`)` [virtual]`

Actually form the variable and constant internal coordinates from the simple internal coordinates.

Implements **sc::IntMolecularCoor**.

### void sc::RedundMolecularCoor::guess\_hessian (RefSymmSCMatrix & hessian)` [virtual]`

Form the approximate hessian.

Implements **sc::MolecularCoor**.

### RefSymmSCMatrix sc::RedundMolecularCoor::inverse\_hessian (RefSymmSCMatrix &)` [virtual]`

Invert the hessian.

Implements **sc::MolecularCoor**.

### void sc::RedundMolecularCoor::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::IntMolecularCoor**.

## Author

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