QUEST (Quantum Electron Simulation Toolbox)

QUEST is a scientific computing package designed for quantum electron simulations using Determinant Quantum Monte Carlo (DQMC) methods.

Prerequisites for MacOS

Install the required compilers using Homebrew:

brew install gcc
brew install gfortran

Installation

1. Clone the repository:

git clone https://github.com/ternaus/quest-qmc.git
cd quest-qmc

1. Build the project:

# This will automatically:
# 1. Build OpenBLAS if needed
# 2. Build the DQMC library
# 3. Build the examples
make

Project Structure

• SRC/: Source code for the DQMC library
• EXAMPLE/: Example applications
• OpenBLAS/: Contains OpenBLAS library when built

Available Make Commands

make        # Build everything (default)
make help   # Show all available commands
make clean  # Clean all built files

Running Examples

After building, you can run the examples from the EXAMPLE directory:

cd EXAMPLE
./example1  # Replace with actual example name

License

QUEST is licensed under the Dual License. See the LICENSE file for details.

Citation

If you use this software in your research, please cite: [Add citation information here]

Troubleshooting

Common issues and solutions:

1. OpenMP issues on MacOS:

# If you see OpenMP-related errors, install:
brew install libomp

1. Compilation errors:
   • Make sure you have the latest versions of gcc and gfortran
   • Check that all paths in the Makefile are correct