Changelog

Version: 2024.03.01 [W-BSk Patch]

Changes

• Construction of 3d static codest-wbsk-3d.
• Construction of 3d time-dependent codetd-wbsk-3d.

Version: 2024.03.01

Changes

• Minor improvements of inittype=0 mode.
• New API_VERSION=20240131. Users can write wave functions from td code to file via logger.h and define new wdata variables via logger.h
• Minor improvements in the HIPMODE version.
• The database of internal tests has been extended.

Version: 2023.09.16

Changes

• New API_VERSION=20230426. Added modify_densities(...) in td codes.
• Update of libraries (folderlib) to the latest version.
• Minor bug fixes and improvements.

Version: 2023.03.16

Changes

• Optimization of the HIP version of the code.
• The td codes can boost the performance by exploiting GPU-aware MPI.
• Performance improvement of SLDAE functional.
• New API_VERSION=20221120.
• Minor bug fixes related to the stability, improved database of test and templates.
• User can select integration scheme for time-dependent problems via predefines.h
• Improved parser of the input file

Version: 2022.08.27

Changes

• Porting code to HIP.
• New library W-Box has been incorporated into the W-SLDA.
• Minor bug fixes related to the stability of the code.

Version: 2022.06.27

Changes

• Speed-up of diagonalization process with ELPA for spin-symmetric mode.
• Minor bug fixes.
• Added Extended Thomas Fermi Model [experimental].

Version: 2022.04.05

Changes

• Update of SLDAE functional (redefinition of the effective mass, now A=alpha; added a new flag that forces the effective mass to be 1.0).
• Redefinition of delta_ext, now it is consistent with https://arxiv.org/abs/2201.07626.
• Automatic adjustment of energy cut-off has been improved.
• Improvement: code can now compute in HF mode (delta=0) and fully polarized gas (Nb=0).
• Added tool for generating custom SLDAE functional.
• Added Monitoring of conservation laws.

Version: 2022.01.05

Changes

• A new functional SLDAE has been implemented.
• Reorganization of templates.
• New user-defined file has been added: machine.h.
• New functionality: Time and position-dependent scattering length has been implemented.
• New functionality: Periodic checkpoints in td codes.
• New functionality: Tracking of selected states.
• Framework for defining CUSTOMEDF in td codes has been added.
• Improved performance of td codes (see Implementing parallel reduction for multiple arrays in Snippets).
• Various minor updates and bug fixes.

Version: 2021.09.05

Changes

• w-deriv lib was included into W-SLDA.
• w-interp lib was included into W-SLDA.
• Update of w-data format to version 0.2.0.
• New tools were added: wdata2checkpoint, Helmholtz decomposition code
• Reading of wave-functions via td codes was improved.
• Documentation of input files was improved.

Version: 2021.05.25

Changes

• Improved Results reproducibility.
• Improved error reporting system.
• Better integration with ELPA Library.
• Simplified compilation process.
• New feature: Automated testing system (testsuite)
• Added computation of entropy in st codes.
• Improved stability of Broyden algorithm in st codes.

Version: 2021.03.15

Changes

• Improved performance of 1D codes
• Support for regularization schemes of the pairing field
• New feature: automatic interpolations
• Minor improvements and bug fixes

Version: 2021.02.09

Changes

• Added Extensions: small codes supporting computation process and data analysis.
• Improvements of data plugin for VisIt: it provides now full information about computation settings in File Information window.
• Better system of error reporting.
• Better control of uniform solver.

Version: 2020.12.28

Changes

• BdG functional has been extended to Fermi-Fermi mixtures
• Better support for mass-imbalanced systems
• Minor improvements: change of default values for some input parameters

Version: 2020.12.14

Implemented functionalities

• Solvers: static equations and time dependent equations
• Dimensionality: 3D and 2D and 1D
• Functionals: BdG, (A)SLDA
• Zero temperature and finite temperature
• Spin balanced and spin imbalanced systems
• User defined external potential, external pairing potential, external velocity field
• Broyden mixing
• Quantum friction
• Integration with VisIt application

Codes

• td-wslda-3d - code for solving time-dependent density functional equations in 3D Cartesian mesh.
• td-wslda-2d - constrained-pca code for solving time-dependent density functional equations in 3D Cartesian mesh with imposed constraint that system is uniform in z direction 
• td-wslda-1d - constrained-constrained-pca code for solving time-dependent density functional equations in 3D Cartesian mesh with imposed constraint that system is uniform in z and y directions. 
• st-wslda-3d - code for solving static density functional equations in 3D Cartesian mesh, generator of initial states for td-wslda-3d code.
• st-wslda-2d - code for solving static density functional equations in 3D Cartesian mesh, with imposed constraint that system is uniform in z direction, generator of initial states for td-wslda-3d and td-wslda-2d codes. 
• st-wslda-1d - code for solving static density functional equations in 3D Cartesian mesh, with imposed constraint that system is uniform in z and y directions, generator of initial states for td-wslda-3d and td-wslda-2d and td-wslda-1d codes.