---
name: "sc_Int1eV3"
section: "3"
platform: "linux"
package: "libsc-doc"
version: "2.3.1-22"
release: "Debian 12 (Bookworm)"
platforms: ["linux"]
url: "https://new.carta.tech/sc_Int1eV3"
---

# sc\_Int1eV3(3)

Int1eV3 is a class wrapper for the one body part of the C language IntV3 library.

## NAME

sc::Int1eV3 - **Int1eV3** is a class wrapper for the one body part of the C language IntV3 library.

## SYNOPSIS

`#include <int1e.h>`

Inherits **sc::RefCount**.

### Public Member Functions

**Int1eV3** (**Integral** \*, const **Ref**\< **GaussianBasisSet** \> &, const **Ref**\< **GaussianBasisSet** \> &, int order)\
 double \* **buffer** ()\
 **Ref**\< **GaussianBasisSet** \> **basis** ()\
 **Ref**\< **GaussianBasisSet** \> **basis1** ()\
 **Ref**\< **GaussianBasisSet** \> **basis2** ()\
 void **kinetic** (int ish, int jsh)\
 void **nuclear\_slow** (int ish, int jsh)\
 void **nuclear** (int ish, int jsh)\
 void **overlap** (int ish, int jsh)\
 void **hcore** (int ish, int jsh)\
 void **efield** (int ish, int jsh, double position\[3\])\
 void **point\_charge** (int ish, int jsh, int ncharge, const double \*charge, const double \*const \*position)\
 void **dipole** (int ish, int jsh, double \*com)\
 void **hcore\_1der** (int ish, int jsh, int dercs, int centernum)\
 void **kinetic\_1der** (int ish, int jsh, int dercs, int centernum)\
 void **nuclear\_1der** (int ish, int jsh, int dercs, int centernum)\
 void **overlap\_1der** (int ish, int jsh, int dercs, int centernum)\

### Protected Member Functions

void **accum\_shell\_1der** (double \*buff, int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum, double(Int1eV3::\*)(int, int, int, int, int, int, int, int))\
 void **accum\_shell\_block\_1der** (double \*buff, int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum, void(Int1eV3::\*shell\_block\_function)(int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double \*buffer))\
 double **comp\_shell\_overlap** (int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)\
 double **comp\_prim\_overlap** (int i1, int j1, int k1, int i2, int j2, int k2)\
 double **comp\_shell\_kinetic** (int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)\
 double **comp\_prim\_kinetic** (int i1, int j1, int k1, int i2, int j2, int k2)\
 double **comp\_shell\_nuclear** (int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)\
 void **accum\_shell\_efield** (double \*buff, int ish, int jsh)\
 void **accum\_shell\_block\_efield** (double \*buff, int ish, int jsh)\
 double **comp\_prim\_nuclear** (int i1, int j1, int k1, int i2, int j2, int k2, int m)\
 void **comp\_shell\_efield** (double \*efield, int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)\
 void **comp\_shell\_block\_efield** (int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double \*buffer)\
 double **comp\_prim\_efield** (int xyz, int i1, int j1, int k1, int i2, int j2, int k2, int m)\
 void **comp\_shell\_dipole** (double \*dipole, int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)\
 double **comp\_prim\_dipole** (int axis, int i1, int j1, int k1, int i2, int j2, int k2)\
 void **comp\_shell\_block\_nuclear** (int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double \*buffer)\
 void **comp\_prim\_block\_nuclear** (int a, int b)\
 void **comp\_prim\_block\_nuclear\_build\_a** (int a, int b, int m)\
 void **comp\_prim\_block\_nuclear\_build\_b** (int b, int m)\
 void **comp\_prim\_block\_efield** (int a, int b)\
 void **comp\_prim\_block\_efield\_build\_a** (int a, int b, int m)\
 void **comp\_prim\_block\_efield\_build\_b** (int b, int m)\
 void **int\_accum\_shell\_overlap\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_done\_1e** ()\
 void **int\_initialize\_1e** (int flags, int order)\
 double **int\_prim\_overlap** (shell\_t \*pshell1, shell\_t \*pshell2, double \*pA, double \*pB, int prim1, int prim2, int i1, int j1, int k1, int i2, int j2, int k2)\
 void **int\_accum\_shell\_kinetic** (int ish, int jsh)\
 void **int\_accum\_shell\_kinetic\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_accum\_shell\_nuclear\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_accum\_shell\_nuclear\_hfc\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_accum\_shell\_nuclear\_hf\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_accum\_shell\_nuclear\_nonhf\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_accum\_shell\_efield** (int ish, int jsh, double \*position)\
 void **int\_accum\_shell\_point\_charge** (int ish, int jsh, int ncharge, const double \*charge, const double \*const \*position)\
 void **int\_shell\_nuclear\_hf\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_shell\_nuclear\_nonhf\_1der** (int ish, int jsh, **Ref**\< **GaussianBasisSet** \> dercs, int centernum)\
 void **int\_accum\_shell\_dipole** (int ish, int jsh, double \*com)\
 void **int\_initialize\_offsets1** ()\
 void **int\_done\_offsets1** ()\
 void **transform\_init** ()\
 void **transform\_done** ()\
 void **source\_space** (int nsource)\
 void **copy\_to\_source** (double \*integrals, int nsource)\
 void **do\_transform\_1e** (**Integral** \*integ, double \*integrals, **GaussianShell** \*sh1, **GaussianShell** \*sh2, int chunk)\
 void **transform\_1e** (**Integral** \*integ, double \*integrals, double \*target, **GaussianShell** \*sh1, **GaussianShell** \*sh2, int chunk)\
 void **accum\_transform\_1e** (**Integral** \*integ, double \*integrals, double \*target, **GaussianShell** \*sh1, **GaussianShell** \*sh2, int chunk)\
 void **transform\_1e** (**Integral** \*integ, double \*integrals, double \*target, **GaussianShell** \*sh1, **GaussianShell** \*sh2)\
 void **accum\_transform\_1e** (**Integral** \*integ, double \*integrals, double \*target, **GaussianShell** \*sh1, **GaussianShell** \*sh2)\
 void **transform\_1e\_xyz** (**Integral** \*integ, double \*integrals, double \*target, **GaussianShell** \*sh1, **GaussianShell** \*sh2)\
 void **accum\_transform\_1e\_xyz** (**Integral** \*integ, double \*integrals, double \*target, **GaussianShell** \*sh1, **GaussianShell** \*sh2)\

### Protected Attributes

**Integral** \* **integral\_**\
 **Ref**\< **GaussianBasisSet** \> **bs1\_**\
 **Ref**\< **GaussianBasisSet** \> **bs2\_**\
 double \* **fjttable\_**\
 **Ref**\< **FJT** \> **fjt\_**\
 int **bs1\_shell\_offset\_**\
 int **bs2\_shell\_offset\_**\
 int **bs1\_func\_offset\_**\
 int **bs2\_func\_offset\_**\
 int **bs1\_prim\_offset\_**\
 int **bs2\_prim\_offset\_**\
 double **oo2zeta\_a**\
 double **oo2zeta\_b**\
 double **sMus** \[3\]\
 double **sTs**\
 double **xi**\
 double **A** \[3\]\
 double **B** \[3\]\
 double **C** \[3\]\
 double **ss**\
 double **PmA** \[3\]\
 double **PmB** \[3\]\
 double **PmC** \[3\]\
 double **zeta**\
 double **oo2zeta**\
 **GaussianShell** \* **gshell1**\
 **GaussianShell** \* **gshell2**\
 int **exponent\_weighted**\
 int **scale\_shell\_result**\
 double **result\_scale\_factor**\
 int **three\_center**\
 **Ref**\< **GaussianBasisSet** \> **third\_centers**\
 int **third\_centernum**\
 int **init\_order**\
 double \* **buff**\
 double \* **cartesianbuffer**\
 double \* **cartesianbuffer\_scratch**\
 int **mu**\
 **IntV3Arraydoublep3** **inter**\
 **IntV3Arraydoublep3** **efield\_inter**\
 double \* **source**\
 int **nsourcemax**\

## Detailed Description

**Int1eV3** is a class wrapper for the one body part of the C language IntV3 library.

It is used by **OneBodyIntV3** and **OneBodyDerivIntV3** to implement **IntegralV3**.

## Author

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