psi4
BOUT-dev
| psi4 | BOUT-dev | |
|---|---|---|
| 2 | 4 | |
| 924 | 167 | |
| 1.5% | 1.2% | |
| 8.7 | 9.0 | |
| 5 days ago | 8 days ago | |
| C++ | C++ | |
| GNU Lesser General Public License v3.0 only | GNU Lesser General Public License v3.0 only |
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.
psi4
-
Upgrading to Psi4 1.6 error
The Github issue on https can be found here: https://github.com/psi4/psi4/issues/2613
- Psi4: Open-Source Quantum Chemistry
BOUT-dev
-
Open source sofware/software contribution opportunities in Fusion
BOUT++: a framework for writing fluid and plasma simulations in curvilinear geometry
-
What programming languages are most used for creating advanced math-related software/simulations?
At least in my field (computational plasma physics), the majority of software is (in descending order) Fortran (e.g., SOLPS-ITER), Python (e.g., IPS; OMFIT; UEDGE), and C/C++ (e.g., BOUT++; Exascale Computing Project tools).
-
how much relevance is given to code quality in your academia projects?
I don't want to paint too bleak a picture of my field - there are definitely big, well-supported projects that invest in code quality! For example, Bout++ is a fluid solver whose devs care a lot about best practices, and the folks at the Exascale Computing Project are doing great work with tools like Kokkos (GPU acceleration of HPCcodes), ADIOS (I/O for HPC), AMREX (meshes for HPC), etc.
- I write buggy code and my phd progress is catastrophic
What are some alternatives?
xtb - Semiempirical Extended Tight-Binding Program Package
geogebra - GeoGebra apps (mirror)
nwchem - NWChem: Open Source High-Performance Computational Chemistry
WarpX - WarpX is an advanced, time-based electromagnetic & electrostatic Particle-In-Cell code.
espresso - The ESPResSo package
HAIL-CAESAR - The High-Performance Architecture-Independent LISFLOOD-CAESAR model of floodplain, river, and sediment dynamics
HartreeFock - A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
openbabel - Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
fluid-engine-dev - Fluid simulation engine for computer graphics applications
root - The official repository for ROOT: analyzing, storing and visualizing big data, scientifically
GITR - Global Impurity Transport