From 186ffd46013fd58a33bc9e763b812db1a5dd3e8d Mon Sep 17 00:00:00 2001 From: Christopher Hillenbrand Date: Sun, 29 Jun 2025 01:25:07 -0400 Subject: [PATCH] remove ORCA (#1687) --- README.md | 1 - 1 file changed, 1 deletion(-) diff --git a/README.md b/README.md index ce1af43..77fd8de 100644 --- a/README.md +++ b/README.md @@ -225,7 +225,6 @@ A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny * [LAMMPS](https://github.com/lammps/lammps) - A classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. [GPL] [website](https://lammps.sandia.gov/) * [MADNESS](https://github.com/m-a-d-n-e-s-s/madness) - Multiresolution Adaptive Numerical Environment for Scientific Simulation. [GPL] [website](https://github.com/m-a-d-n-e-s-s/madness) * [MPQC](https://github.com/ValeevGroup/mpqc) - The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. [GPL] [website](https://mpqc.org/) -* [ORCA](https://en.wikipedia.org/wiki/ORCA_(quantum_chemistry_program)) - An ab initio quantum chemistry program package that contains modern electronic structure methods. [Academic] [website](https://orcaforum.kofo.mpg.de/) * [Psi](https://github.com/psi4/psi4) - An ab initio computational chemistry package. [GPL] [website](https://psicode.org/) ## CLI