digital-chemistry-laboratory / libconeangle
Library for calculating exact ligand cone angles
☆12Updated 2 years ago
Alternatives and similar repositories for libconeangle:
Users that are interested in libconeangle are comparing it to the libraries listed below
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆17Updated last year
- Fortran modules with the CODATA fundamental physical constants, generated by a Python script.☆14Updated 11 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆22Updated this week
- A collection of utilities written in Modern Fortran☆10Updated 7 months ago
- Modern Fortran wrappers around MPI routines☆34Updated 10 months ago
- Simple, parallel, object-oriented Fortran neural network☆20Updated 6 years ago
- A short introduction to modern Fortran☆13Updated last year
- Library version of S. Grimmes DFTD3 code.☆11Updated 2 years ago
- MultiResolution Computation Program Package☆12Updated 3 weeks ago
- Resources for teaching quantum chemistry courses in Bonn☆37Updated 3 weeks ago
- Integration of the Fortran standard library in CMake projects☆15Updated 3 years ago
- MultiResolution Chemistry☆31Updated 3 weeks ago
- Davidson eigensolver implemented in Fortran☆16Updated 5 years ago
- A kd-tree implementation in Fortran by Matthew B. Kennel☆10Updated 4 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 4 years ago
- Material for the workshop at FortranCon 2020☆19Updated 4 years ago
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- Fortran pre-processor☆15Updated last week
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆32Updated this week
- A fortran library of fast functions☆30Updated 2 months ago
- A library for flexible and easy to use error handling in Fortran projects☆19Updated last year
- Geometrical Counter-Poise Correction☆11Updated 5 months ago
- Modern Fortran wrappers around ScaLAPACK routines☆18Updated 8 months ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Updated 6 months ago
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆31Updated 3 months ago
- Modular computation tool chain library☆18Updated last month
- Framework for Extensible Asynchronous Task Scheduling☆11Updated last year
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Modified Shepard Algorithm for Interpolation of Scattered Multivariate Data☆11Updated 2 years ago
- Solvent accessible surface area calculation☆17Updated last month