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☆16Updated 10 months ago
- A collection of utilities written in Modern Fortran☆10Updated 5 months ago
- Fortran modules with the CODATA fundamental physical constants, generated by a Python script.☆14Updated 9 months ago
- A kd-tree implementation in Fortran by Matthew B. Kennel☆10Updated 4 years ago
- Modern Fortran wrappers around MPI routines☆34Updated 7 months ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 4 years ago
- A generic implementation of tensor einsum in Fortran.☆26Updated 4 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆20Updated this week
- Integration of the Fortran standard library in CMake projects☆13Updated 3 years ago
- Library version of S. Grimmes DFTD3 code.☆11Updated 2 years ago
- Davidson eigensolver implemented in Fortran☆16Updated 5 years ago
- A library for flexible and easy to use error handling in Fortran projects☆19Updated last year
- An Introductory Fortran course delivered by the Imperial College London Graduate School.☆15Updated 2 months ago
- Simple, parallel, object-oriented Fortran neural network☆20Updated 6 years ago
- A short introduction to modern Fortran☆13Updated 11 months ago
- Material for the workshop at FortranCon 2020☆19Updated 4 years ago
- Modern Fortran wrappers around ScaLAPACK routines☆18Updated 5 months ago
- Semantic Versioning 2.0 in Fortran☆10Updated 4 months ago
- Fortran backward (reverse) mode automatic differentiation.☆11Updated 2 years ago
- Framework for Extensible Asynchronous Task Scheduling☆11Updated last year
- Fortran pre-processor☆15Updated 8 months ago
- MultiResolution Computation Program Package☆12Updated last week
- Automatic differentiation for Fortran☆10Updated last year
- A fortran library of fast functions☆30Updated this week
- Modified Shepard Algorithm for Interpolation of Scattered Multivariate Data☆11Updated 2 years ago
- Resources for teaching quantum chemistry courses in Bonn☆36Updated 8 months ago
- User friendly, flexible and extensible object-oriented Fortran unit testing framework for testing serial, MPI-parallelized and coarray-pa…☆24Updated 11 months ago
- Interface declarations for basic linear algebra subprograms☆11Updated 8 months ago
- Electronegativity equilibration model for atomic partial charges☆15Updated 2 months ago
- MultiResolution Chemistry☆31Updated last week