Merge requests · octopus-code / octopus · GitLab

Reorganize the parsing to avoid issues with the standard output with the option UserDefinedStates.

!2611 · created Oct 09, 2024 by Nicolas Tancogne-Dejean 15.0
Bugfix in Changelog
- Merged
- 3
- Approved
updated Oct 15, 2024
Fix hip and rename CudaAwareMPI input variable

!2615 · created Oct 14, 2024 by Sebastian Ohlmann 15.0
GPU in Changelog
- Merged
- 1
- Approved
updated Oct 15, 2024
Removing the double_grid call in epot_local_potential. 1 of 2 checklist items completed

!1210 · created Feb 05, 2021 by Nicolas Tancogne-Dejean 11.0 develop
Feature Refactoring
- Merged
- 1
- Approved
updated Oct 14, 2024
Implement Chebyshev expansion for phi_1 and phi_2 2 of 2 checklist items completed

!2607 · created Oct 09, 2024 by Sebastian Ohlmann 16.0
Feature
- Merged
- 37
- Approved
updated Oct 14, 2024
Add MPI support for the wannier90_state runmode of oct-wannier90 utility. 2 of 2 checklist items completed

!2365 · created Mar 06, 2024 by Nicolas Tancogne-Dejean 15.0
MPI in Changelog
- Merged
- 28
- Approved
updated Oct 14, 2024
Improve message displayed for ASSERT calls 1 of 2 checklist items completed

!2479 · created May 31, 2024 by Sebastian Ohlmann 15.0
in Changelog
- Merged
- 3
- Approved
updated Oct 14, 2024
Resolve "New nfft versions incompatible with octopus 12"

!2059 · created May 29, 2023 by Ashwin 15.0
in Changelog
- Merged
- 7
- Approved
updated Oct 14, 2024
Workaround for compiling with ifx

!2416 · created Apr 16, 2024 by Sebastian Ohlmann 15.0
Compiler in Changelog
- Merged
- Approved
updated Oct 14, 2024
Limit writing of global cube file in `X(io_function_output)` to a single rank when appropriate

!2461 · created May 21, 2024 by Sebastian Ohlmann 15.0
MPI in Changelog
- Merged
- 6
- Approved
updated Oct 14, 2024
Refactor `parse_input` func in Octopus parser, and add function to parse a string.

!2485 · created Jun 12, 2024 by Alex Buccheri 15.0
External libraries Refactoring in Changelog
- Merged
- 42
- Approved
updated Oct 14, 2024
Moving ions in the multisystem 0 of 2 checklist items completed

!2553 · created Aug 01, 2024 by Henri Menke 15.0
Multisystem Refactoring in Changelog
- Merged
- 28
- Approved
updated Oct 14, 2024
Remove unused code.

!2426 · created Apr 18, 2024 by Nicolas Tancogne-Dejean 15.0
Refactoring in Changelog
- Merged
- 1
- Approved
updated Oct 14, 2024
refactor: Simplify superfluous mix field array dimensions, reducing from 3 to 2

!2379 · created Mar 15, 2024 by Nicolas Tancogne-Dejean 15.0
Refactoring in Changelog
- Merged
- 34
- Approved
updated Oct 14, 2024
Refactor the phase application 1 of 1 checklist item completed

!2420 · created Apr 16, 2024 by Nicolas Tancogne-Dejean 15.0
Refactoring in Changelog
- Merged
- 18
- Approved
updated Oct 14, 2024
Resolve "Remove FLOAT and CMPLX macros" 0 of 2 checklist items completed

!2462 · created May 21, 2024 by Martin Lueders 15.0
Core Refactoring in Changelog
- Merged
- 13
- Approved
updated Oct 14, 2024
Refactor profiling module 1 of 2 checklist items completed

!2466 · created May 22, 2024 by Sebastian Ohlmann 15.0
Core Refactoring in Changelog
- Merged
- 15
- Approved
updated Oct 14, 2024
Removing the dependence of the Hirsfeld module on the ion module. 1 of 2 checklist items completed

!2496 · created Jun 26, 2024 by Nicolas Tancogne-Dejean 15.0
Refactoring in Changelog
- Merged
- 17
- Approved
updated Oct 14, 2024
Refactor: Simplify initialisation of calc_mode_par_t instance, and document all methods

!2557 · created Aug 06, 2024 by Alex Buccheri 15.0
Refactoring in Changelog
- Merged
- 9
- Approved
updated Oct 14, 2024
Refactor the lanczos method for the exponential

!2558 · created Aug 07, 2024 by Sebastian Ohlmann 15.0
Refactoring in Changelog
- Merged
- 93
- Approved
updated Oct 14, 2024
Refactoring of the nonlocal pseudopotential code

!2493 · created Jun 21, 2024 by Nicolas Tancogne-Dejean 15.0
Refactoring in Changelog
- Merged
- 44
- Approved
updated Oct 14, 2024

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