HartreeFock
nwchem
Our great sponsors
HartreeFock | nwchem | |
---|---|---|
15 | 4 | |
49 | 453 | |
- | - | |
7.1 | 9.7 | |
about 2 months ago | 21 days ago | |
C++ | Fortran | |
GNU General Public License v3.0 only | GNU General Public License v3.0 or later |
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
HartreeFock
-
Help making plot for experiment
For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock
- Sa iau o pauza de la proiecte personale?
- Did I just understand Quantum Theory?
-
What’s your favourite programming project that you’ve completed?
From the open source ones, probably this one: https://github.com/aromanro/HartreeFock It started 'small' then I extended it based on tutorials from here: https://github.com/CrawfordGroup/ProgrammingProjects (and not only).
-
Why are you a C/C++ developer?
The rest depends on the project. I have no shame in using some other language, but for some of the projects, my other choice would be... fortran. I like c++ more, so for this one for example https://github.com/aromanro/HartreeFock I used c++.
- Pasionat de c++
- Programatori care NU ati terminat o facultate, v-a incurcat vreodata cu ceva acest aspect?
nwchem
We haven't tracked posts mentioning nwchem yet.
Tracking mentions began in Dec 2020.
What are some alternatives?
xtb - Semiempirical Extended Tight-Binding Program Package
psi4 - Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
RayTracer - A ray tracing program
matplotplusplus - Matplot++: A C++ Graphics Library for Data Visualization 📊🗾
elmerfem - Official git repository of Elmer FEM software
EventMolecularDynamics - A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
EmpiricalPseudopotential - Band structure computation using empirical pseudopotentials
awesome-python-chemistry - A curated list of Python packages related to chemistry
cexprtk - cexprtk is a cython wrapper around "C++ Mathematical Expression Toolkit Library (ExprTk)". Using cexprtk a powerful mathematical expression engine can be incorporated into your python project.
DFTQuantumDot - Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
KKR - Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation