# Hartree-Fock

**Repository Path**: xnzsyjx/hartree-fock

## Basic Information

- **Project Name**: Hartree-Fock
- **Description**: Hartree-Fock Program
- **Primary Language**: C++
- **License**: Apache-2.0
- **Default Branch**: main
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2023-11-06
- **Last Updated**: 2026-01-18

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# Hartree-Fock

This is a Hartree-Fock program in real space.

This program is written to read me3j of me3j.gz file in order to do Hartree-Fock with more chiral EFT nuclear force.

After the program-running is finished, 3NF will be normal ordered to zero, one and two body.

## Output-file
- One-body, Two-body and Orbit file will be output for MBPT and Gamow-IMSRG.
- Kinetic one-body, $\langle {\rm HO}|{\rm HF}\rangle$ (named Cmat) and Orbit file will be output for Gamow-IMSRG with Gamow basis.

## Install

### Set environment variable
    echo "export LD_LIBRARY_PATH=${HOME}/Hartree-Fock/usr/lib:\$LD_LIBRARY_PATH" >> ~/.bashrc
    echo "export C_INCLUDE_PATH=${HOME}/Hartree-Fock/usr/include:\$C_INCLUDE_PATH" >> ~/.bashrc
    source ~/.bashrc
### Compile
    cd ~/Hartree-Fock/src
    make or make -j
    make install
    cd ~/Hartree-Fock/work/exe
    make

## Run program

Edit `run.py` in `~/Hartree-Fock/work/run` for what you wanna to run and then execute

    python3 run.py

The output file will be find in `~/Hartree-Fock/work/data`