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  • siesta-project
  • siestasiesta
  • Merge requests
  • Open 25
  • Merged 66
  • Closed 10
  • All 101
  • PEP8 fixes
    !103 · created Jun 26, 2022 by Eisuke Kawashima
    • 1 left
    • 0
    updated Jun 26, 2022
  • fix shebang
    !102 · created Jun 26, 2022 by Eisuke Kawashima
    • 1 left
    • 0
    updated Jun 26, 2022
  • Draft: Make fdf MPI-agnostic. Streamline treatment of internal libraries
    !101 · created Jun 10, 2022 by Alberto Garcia   5.0-beta
    • 1 left
    • 0
    updated Jun 10, 2022
  • Draft: Changes for fixing CheSS compilation
    !100 · created Jun 10, 2022 by Alberto Garcia
    • 1 left
    • 1
    updated Jun 10, 2022
  • New SIESTA-QM/MM interface
    !93 · created Mar 21, 2022 by Federico Pedron
    • 1 left
    • 0
    updated Jun 07, 2022
  • Resolve "Compilation fails with nfort"
    !92 · created Mar 14, 2022 by Yann Pouillon   Bug
    • 1 left
    • 3
    updated Mar 28, 2022
  • Draft: unit management decoupled from fdf   0 of 4 tasks completed
    !91 · created Feb 18, 2022 by Alberto Garcia   5.0-beta
    • 1 left
    • 11
    updated Apr 08, 2022
  • Implemented a bulk-shift of the eigenspectrum based on occupations
    !90 · created Feb 17, 2022 by Nick R. Papior
    • 1 left
    • 0
    updated Feb 17, 2022
  • (Superseeded) Remove MPI dependency in libfdf
    !89 · created Feb 11, 2022 by Alberto Garcia
    • 1 left
    • 15
    updated Jun 10, 2022
  • Speeded up PDOS calculations   14 of 14 tasks completed
    !82 · created Feb 02, 2022 by Nick R. Papior   feature
    • 1 left
    • 58
    updated May 17, 2022
  • Draft: Enhancements in alloc module -- proc pointers
    !80 · created Jan 31, 2022 by Alberto Garcia   psml-support
    • 1 left
    • 17
    updated Apr 08, 2022
  • Draft: Prototype CMake framework
    !75 · created Nov 23, 2021 by Alberto Garcia   v4.1.6   rel-4.1   Doing feature
    • 1 left
    • 15
    updated Jun 16, 2022
  • enh: added a new cumulative distribution function class   0 of 2 tasks completed
    !74 · created Nov 17, 2021 by Nick R. Papior
    • 1 left
    • 5
    updated Feb 04, 2022
  • Added Grimme's D3 dispersion correction
    !70 · created Oct 19, 2021 by Federico Pedron   5.0-beta
    • 1 left
    • 22
    updated Jun 19, 2022
  • WIP: MGGA
    !68 · created Oct 07, 2021 by Bogdan G
    • 1 left
    • 6
    updated Mar 14, 2022
  • New integrator for TDDFT   0 of 3 tasks completed
    !61 · created May 20, 2021 by Jessica Halliday   5.0-beta
    • 1 left
    • 36
    updated Nov 29, 2021
  • Continuous Integration setup for siesta
    !60 · created May 14, 2021 by Rajesh A. Prashanth
    • 1 left
    • 0
    updated May 14, 2021
  • WIP: Allowing specific points in ol-stm
    !59 · created May 13, 2021 by Pol Febrer   v4.1.6   rel-4.1
    • 1 left
    • 11
    updated Oct 26, 2021
  • mnt: added conda-forge addition
    !54 · created Apr 21, 2021 by Nick R. Papior   5.0-beta
    • 1 left
    • 4
    updated Nov 09, 2021
  • Draft: Zeeman term
    !47 · created Feb 19, 2021 by Simona Achilli
    • 1 left
    • 31
    updated Feb 04, 2022
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