cgnieder / chemformulaLinks
typeset chemical compounds and reactions
☆25Updated last year
Alternatives and similar repositories for chemformula
Users that are interested in chemformula are comparing it to the libraries listed below
Sorting:
- comprehensive support for typesetting chemistry documents☆35Updated last year
- Course repository for 06-640 - Molecular simulation☆25Updated 12 years ago
- Visualization and editing of periodic molecular structure files.☆26Updated last month
- LaTeX/Tikz package. It provides several commands in order to draw atomic orbitals and molecular orbitals diagrams.☆12Updated 9 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆80Updated 5 months ago
- Fortran and Python library to predict material interface structures☆17Updated this week
- ☆19Updated 2 years ago
- GW100 data repository and post processing tools☆12Updated last year
- This is a python module for automating Raman calculations using GAMESS(us).☆9Updated 4 years ago
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary☆10Updated 7 years ago
- A testing and building system for LaTeX☆100Updated this week
- Library for Green’s function based electronic structure theory calculations☆23Updated 2 weeks ago
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆61Updated last week
- Cadabra computer algebra☆19Updated 8 years ago
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…☆11Updated 6 years ago
- A package for visualizing molecules.☆12Updated 5 years ago
- Quantum Monte Carlo Kernel Library☆36Updated last week
- python binding of pfft☆16Updated 9 months ago
- Python and Fortran Numerical Implementations of the Polya Enumeration Theorem☆12Updated 8 years ago
- Finite element methods for electronic structure calculations on small systems☆38Updated last month
- Open-source/Oak-Ridge Wang-Landau (OWL): A suite for first-principles based Monte Carlo simulations☆16Updated 2 years ago
- Sources of fortran90.org☆61Updated last year
- Book on Chemical Reactions and Dynamical Systems☆14Updated 2 years ago
- Command line application to convert .bib files to glossaries-extra.sty resource file☆25Updated 3 weeks ago
- graphical user interface for real space structure refinement to PDF☆31Updated 2 weeks ago
- NITROGEN is a Python package for rovibronic calculations for small molecules.☆14Updated 2 months ago
- The Basic Matrix Library (bml)☆42Updated 2 months ago
- Mathematica package for carrying out vector calculus calculations - http://arxiv.org/abs/1309.2561☆29Updated 2 months ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago