vanderhe / fortnet
Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
☆31Updated 3 months ago
Alternatives and similar repositories for fortnet
Users that are interested in fortnet are comparing it to the libraries listed below
Sorting:
- Simple, parallel, object-oriented Fortran neural network☆20Updated 6 years ago
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- Forlab is a Fortran module that provides a lot of functions for scientific computing mostly inspired by Matlab and Python's package NumPy…☆34Updated 3 years ago
- ☆19Updated last week
- Integration of the Fortran standard library in CMake projects☆15Updated 3 years ago
- MultiResolution Chemistry☆31Updated last week
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆22Updated this week
- Library for Green’s function based electronic structure theory calculations☆23Updated 2 weeks ago
- Davidson eigensolver implemented in Fortran☆16Updated 5 years ago
- Modern Fortran wrappers around MPI routines☆34Updated 10 months ago
- A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theor…☆15Updated 4 months ago
- Mathematical & chemical routines e.g. nonlinear optimization etc. with c++ & python frontend☆11Updated 3 years ago
- Resources for teaching quantum chemistry courses in Bonn☆37Updated this week
- Let's explore the modern Fortran features for parallel programming (coarrays, images, collective subroutines...)☆19Updated 8 months ago
- Developer repository for the LATTE code☆42Updated last month
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆20Updated last month
- Flexible & extensible object oriented Fortran unit testing framework for serial, MPI-parallel and coarray-parallel projects☆22Updated 2 months ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Fortran and Python library to predict material interface structures☆17Updated this week
- MultiResolution Computation Program Package☆12Updated last month
- Fortran modules with the CODATA fundamental physical constants, generated by a Python script.☆14Updated last week
- Modern Fortran wrappers around ScaLAPACK routines☆18Updated 8 months ago
- Fortran port of the tiny-regex-c library☆28Updated last year
- A Dual Number Automatic Differentiation Module for Fortran☆30Updated 4 years ago
- A Python package for multipole expansions of electrostatic or gravitational potentials☆44Updated 4 months ago
- Cookiecutter templates for creating modern Fortran projects that are ready to build, run, test, and install☆18Updated 6 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆42Updated last month
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆11Updated 2 months ago
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆32Updated this week
- Fortran bindings for the NLopt library☆29Updated 2 years ago