Skip to content

GitLab

  • Menu
Projects Groups Snippets
    • Loading...
  • Help
    • Help
    • Support
    • Community forum
    • Submit feedback
    • Contribute to GitLab
  • Sign in
  • wslda wslda
  • Project information
    • Project information
    • Activity
    • Labels
    • Members
  • Repository
    • Repository
    • Files
    • Commits
    • Branches
    • Tags
    • Contributors
    • Graph
    • Compare
  • Issues 0
    • Issues 0
    • List
    • Boards
    • Service Desk
    • Milestones
  • Merge requests 0
    • Merge requests 0
  • CI/CD
    • CI/CD
    • Pipelines
    • Jobs
    • Schedules
  • Deployments
    • Deployments
    • Environments
    • Releases
  • Monitor
    • Monitor
    • Incidents
  • Packages & Registries
    • Packages & Registries
    • Package Registry
    • Container Registry
    • Infrastructure Registry
  • Analytics
    • Analytics
    • CI/CD
    • Repository
    • Value stream
  • Wiki
    • Wiki
  • Snippets
    • Snippets
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
Collapse sidebar
  • wtools
  • wsldawslda
  • Wiki
  • Convergence control

Convergence control · Changes

Page history
Update Convergence control authored May 20, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
Hide whitespace changes
Inline Side-by-side
Convergence-control.md
View page @ ff7e8211
......@@ -76,7 +76,7 @@ mixingtype p # 'd' - mix densities, 'p' - mix potentials (default
Our tests show that typically the algorithm converges faster when *potentials* are used for the mixing procedure. However, we found (rare) cases where mixing of *densities* provides better efficiency.
## Disabling mixing in the first iteration
In some cases, it is required to disable mixing in the first iteration. Typically, it is required when the solver has been [initialized manually](https://gitlab.fizyka.pw.edu.pl/gabrielw/wslda/-/wikis/Initialization%20of%20the%20st-wslda%20solvers#custom-initialization-of-the-solver), and thus integral integrity of data is not maintained. To do this use the following flag:
In some cases, it is required to disable mixing in the first iteration. Typically, it is required when the solver has been [initialized manually](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Initialization%20of%20the%20st-wslda%20solvers#custom-initialization-of-the-solver), and thus integral integrity of data is not maintained. To do this use the following flag:
```bash
nomixstart 1 # do not do mixing for starting iteration
```
Clone repository
  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
  • Campaign of calculations
  • Checking correctness of settings
  • Chemical potentials control
  • Code & Results quality
  • Common failures of static codes
  • Common failures of time dependent codes
  • Computation domain
  • Configuring GPU machine
  • Constraining densities and potentials
View All Pages