Blueprint assignments for “Siesta”

This listing shows the assignment of work for blueprints currently associated with Siesta. The drafter is responsible for getting the specification correctly written up and approved. The approver is usually the person who would sign off on the specification.

133 of 33 specifications
Priority Name Definition Delivery Assignee Drafter Approver
4 High Distributed diagonalization on orb+k+spin 0 Approved 5 Started Nick Papior Nick Papior Alberto Garcia
3 Medium IO revamp 5 New 0 Unknown Nick Papior Nick Papior
3 Medium Test implementation: Shift-and-invert parallel spectral transformation eigensolver 5 New 0 Unknown Fabiano Corsetti Fabiano Corsetti Alberto Garcia
3 Medium Siesta use of system symmetry 5 New 5 Started Jose M Soler Jose M Soler
2 Low Check ESM model inclusion 5 New 5 Started Nick Papior Nick Papior
1 Undefined Use of gridxc library 0 Approved 7 Good progress Alberto Garcia Alberto Garcia
1 Undefined SIESTA-LINRES 0 Approved 0 Unknown SIESTA-LINRES Miguel Pruneda
1 Undefined Lowdin-Mattheis transformation to obtain orthonormal wave functions 0 Approved 0 Unknown Javier Junquera Javier Junquera
1 Undefined Spin-moment convergence criteria 0 Approved 0 Unknown Nick Papior
1 Undefined Integrate PSML-enabled version 0 Approved 7 Good progress Alberto Garcia
1 Undefined Extensions for TranSiesta/TBtrans 0 Approved 0 Unknown Nick Papior Nick Papior Nick Papior
1 Undefined Enhancements and extensions for wannierization 0 Approved 0 Unknown Javier Junquera
1 Undefined Hybrid XC functionals 0 Approved 7 Good progress Yann Pouillon Yann Pouillon Javier Junquera
1 Undefined Optimization of matrix-element calculations 3 Drafting 0 Unknown Nick Papior
1 Undefined New features on the Poisson solver 3 Drafting 5 Started Pedro Brandimarte Pedro Brandimarte
1 Undefined Extend the use of refcounted data structures 3 Drafting 5 Started Nick Papior Alberto Garcia Alberto Garcia
1 Undefined Enhancements for the test suite 3 Drafting 0 Unknown Yann Pouillon Alberto Garcia
1 Undefined Remove legacy fdf_global_* calls 4 Discussion 0 Unknown Nick Papior Nick Papior Alberto Garcia
1 Undefined Bundle of SIESTA dependencies 4 Discussion 0 Unknown Yann Pouillon Yann Pouillon Nick Papior
1 Undefined New strategies in TDDFT propagation 4 Discussion 5 Started Pablo Lopez Pablo Lopez Daniel Sanchez-Portal
1 Undefined Nudged elastic band and similar methods 5 New 1 Not started Jose M Soler Jose M Soler
1 Undefined Support compilation of lots of small libraries in build system 5 New 5 Started Alberto Garcia
1 Undefined Compatibility of spin-orbit and LDA+U features 5 New 0 Unknown Javier Junquera Javier Junquera
1 Undefined LDAU+SOC, taking into account local spin orientation 5 New 0 Unknown Daniel Sanchez-Portal Daniel Sanchez-Portal
1 Undefined Modification of MD output formats 5 New 5 Started Pablo Lopez Pablo Lopez
1 Undefined Implement meta-GGAs 5 New 1 Not started Jose M Soler Jose M Soler
1 Undefined Improving and testing various mixing algorithms 5 New 0 Unknown Nick Papior Nick Papior
1 Undefined New distributions for projector application 5 New 0 Unknown Alberto Garcia
1 Undefined Reimplementation of the dynamics methods 5 New 5 Started Jose M Soler Jose M Soler
1 Undefined Implementation of Siesta + Psolver from BigDFT 5 New 5 Started Pablo Lopez Pablo Lopez
1 Undefined Post-processing tool for band unfolding 5 New 8 Beta Available Daniel Sanchez-Portal Daniel Sanchez-Portal
1 Undefined Band unfolding for arbitrary systems 5 New 5 Started Daniel Sanchez-Portal Daniel Sanchez-Portal
1 Undefined Use wannier90 as a library 5 New 0 Unknown Javier Junquera
133 of 33 specifications