Octopus is software designed for virtual experimentation on an expanding range of system types. With a focus on ab initio, it promises versatile simulation capabilities for various scientific disciplines.
Octopus Project is a sophisticated software designed to facilitate ab initio virtual experimentation across a range of system types. It provides a quantum-mechanical description of electrons using Density-Functional Theory (DFT) and the time-dependent form (TDDFT) for simulations. Meanwhile, nuclei are described classically as point particles, and the electron-nucleus interaction is addressed within the Pseudopotential approximation.
The latest release of the software offers a few notable improvements that make it even more valuable to users. For example, the previous complex executable has been replaced, and all the work is now handled by the normal (real) executable. Additionally, the wavefunction type is automatically selected based on data from the input file.
Moreover, Octopus Project now offers support for calculating dynamical polarizabilities using linear response theory. Basic backing for full potential all electron species has also been provided. Lastly, the software's documentation has been obsoleted and replaced by an online-based wiki document that makes it easier for users to find the information they need.
Overall, the latest release of Octopus Project demonstrates the software's continued efforts to make ab initio virtual experimentation more accessible and user-friendly. It's a valuable tool for anyone looking to virtualize quantum-mechanical simulations across a range of system types.
The latest release of the software offers a few notable improvements that make it even more valuable to users. For example, the previous complex executable has been replaced, and all the work is now handled by the normal (real) executable. Additionally, the wavefunction type is automatically selected based on data from the input file.
Moreover, Octopus Project now offers support for calculating dynamical polarizabilities using linear response theory. Basic backing for full potential all electron species has also been provided. Lastly, the software's documentation has been obsoleted and replaced by an online-based wiki document that makes it easier for users to find the information they need.
Overall, the latest release of Octopus Project demonstrates the software's continued efforts to make ab initio virtual experimentation more accessible and user-friendly. It's a valuable tool for anyone looking to virtualize quantum-mechanical simulations across a range of system types.
What's New
Version 2.1.0: N/A