disorderedmaterials / dissolveLinks
Structure refinement software for total scattering data
☆11Updated this week
Alternatives and similar repositories for dissolve
Users that are interested in dissolve are comparing it to the libraries listed below
Sorting:
- molecule and crystal editor written in c++☆12Updated last year
- Debye's scattering equation & other analysis of atomistic models.☆53Updated last year
- Visualization and editing of periodic molecular structure files.☆26Updated last month
- Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.☆29Updated 3 weeks ago
- iRASPA for linux and windows☆29Updated 9 months ago
- Suite of programs to simulate disordered and nanomaterials☆58Updated 2 weeks ago
- Reads crystallographic cif files and simulates diffraction☆62Updated 2 weeks ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆26Updated this week
- A simple, robust and flexible just-in-time job management framework in Python.☆156Updated this week
- Molecular / atomic coordinate editor☆12Updated 2 years ago
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆72Updated 4 years ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆28Updated 10 months ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆69Updated 5 months ago
- Open-source library for analyzing the results produced by ABINIT☆121Updated last week
- Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/☆26Updated last week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆85Updated last year
- Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials☆58Updated this week
- Atomify - a realtime LAMMPS visualizer☆156Updated 2 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆99Updated 5 years ago
- I/O library for images produced by 2D X-ray detector☆59Updated last week
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆82Updated this week
- General purpose tools for high-throughput catalysis☆94Updated 2 weeks ago
- IQmol is an open source molecular editor and visualization package☆102Updated 2 years ago
- Irena, Nika, and Indra SAXS Igor code by Jan Ilavsky☆25Updated 2 months ago
- Interatomic potential creating using DFT training data.☆28Updated 5 years ago
- A post-processing engine for particle simulations☆42Updated this week
- Classical force field model for simulating atomic force microscopy images.☆52Updated this week
- This software is a general purpose classical simulation package. Online documentation available at:☆61Updated last week
- 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