Abipy

Latest version: v0.9.7

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0.9.6

* Version compatible with aiida-common-workflows.

0.9.5

* Force make_dte_inputs to consider the psp to be in LDA
* Fix ngfft issue when going to DTE
* Force DTE to overwrite nband and nbdbuf to number of VBs and 0 respectively

0.9.4

* pymatgen == 2023.7.17 is highly recommended.

0.9.3

* Require pymatgen >= 2023.3.23
* Add ``ndivsm`` argument to PhononWork and EffMassLineWork to activate band
structure computation along k-path.
* Add new option to TaskManager (`limits_for_task_class`) to specify custom limits
depending on the name of the task class. See `abidoc.py manager` for syntax
* Deprecate `single` and `rapid` commands of abirun.py.

0.9.2

* Require pymatgen >= 2022.0.14
* Add abiview.py ifermi_fs
* G0W0WithQptdmFlow is deprecated and will be removed in v 0.9.3
* Add abigui.py script
* Add abilab.abirobot function to create a Robot from a list of filepaths.
* Add plotly version of fatbands
* Support for dipquad and quadquad

0.9.1

* Add "-ew", "--expose-web",
* abiopen, abiview and abicomp now supports --plotly to produce plotly figures in the local browser
and --chart-studio to push the figure to the chart studio service.
Note that, at present, only DDB files support plotly.
* AbinitInput set_kpath and make_ebands_input now support negative values of ndivsm that
are interpreted as line_density following pymatgen conventions.
This option is the recommended one if the k-path contains two consecutive high symmetry k-points
that are very close as ndivsm > 0 may produce a very large number of wavevectors.
* Preliminary support for plotly plots (phonons).
* AbinitInputParser now can parse strings in the input file and read structure is the `structure:abivars`
syntax in used.

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