Siesta max-r2
Second release, month 24 deliverable
Milestone information
- Project:
- Siesta
- Series:
- max-releases
- Version:
- max-r2
- Released:
- Registrant:
- Alberto Garcia
- Release registered:
- Active:
- No. Drivers cannot target bugs and blueprints to this milestone.
Activities
- Assigned to you:
- No blueprints or bugs assigned to you.
- Assignees:
- No users assigned to blueprints and bugs.
- Blueprints:
- No blueprints are targeted to this milestone.
- Bugs:
- No bugs are targeted to this milestone.
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Release notes
Updated (pl2) release corrects some issues with the OpenMP parallelization
*** New features
- Added the updated LinRes module to compute the force-constant
matrix by using Density-Functional Perturbation Theory.
- Added the CheSS solver as a new solution method. This is
a linear scaling solver which calculates the density matrix and the
energy density matrix.
- Added the Cold-smearing method as another option to enhance the convergence
for metallic systems.
- TDDFT implemented by R. Ullah via older code from
D. Sanchez-Portal.
- Refactoring of the diagonalization subsystem: more choice of
methods and performance and memory-use improvements.
- Enhanced control of quantum engine operations through an
embedded Lua interpreter
Changelog
This release does not have a changelog.
0 blueprints and 0 bugs targeted
There are no feature specifications or bug tasks targeted to this milestone. The project's maintainer, driver, or bug supervisor can target specifications and bug tasks to this milestone to track the things that are expected to be completed for the release.
