https://github.com/romerogroup/pyprocar
Tip revision: 0f07cfa2942c8bb4c15c278411b4769e5732798e authored by antelmor on 07 August 2023, 16:06:33 UTC
Siesta branch
Siesta branch
Tip revision: 0f07cfa
TODO
Todo:
☐ `core.dos`
☐ add python typing to the folowing functions @low @Pedram
☐ add `__str__` method @low @Pedram
☐ `core.ebs`
☐ add python typing to the folowing functions @low @Pedram
☐ add `__str__` method @low @Pedram
☐ `core.elements`
✔ needs to move to utils @high @Pedram @done(22-05-14 10:03)
✔ `core.isosurface` @done(22-05-15 14:05)
✔ add python typing to the folowwing functions @low @Logan @done(22-05-15 14:05)
☐ `core.kpath`
☐ add python typing to the folowwing functions @low @Pedram
☐ add `__str__` method @low @Pedram
☐ `core.structure`
☐ add python typing to all of the functions @low @Pedram
✔ Change the `N_avogadro` to all caps @high @Pedram @done(22-05-14 10:04)
☐ add `__str__` method @low @Pedram
✔ `core.surface` @done(22-05-15 14:06)
✔ add python typing to all of the functions @low @done(22-05-15 14:06)
☐ add trimesh @critical @Pedram
✔ what is the point of self.test? @low @Logan @done(22-05-15 14:06)
✔ uncomment self.polydata and self.mesh @critical @Logan @done(22-05-15 14:06)
✔ add an __str__ method @low @Logan @done(22-05-15 14:06)
✔ change boolean add method to __add__ method and get rid of try and expect @low @Logan @done(22-05-15 14:06)
☐ `fermisurface3d.brillouin_zone`
✔ add python typing @low @Pedram @done(22-05-15 14:06)
☐ move this module to core @critical @Pedram
✔ add python typing @low @Pedram @done(22-05-15 14:07)
☐ move this module to plotter @critical @Pedram
☐ add default settings @critical @Pedram @Logan
☐ `io`
☐ remove the directories `abinitparser` @critical @Uthpala
✔ remove the directories `bxsfparser` and change it to a `*.py` module @critical @Logan @done(22-05-15 15:52)
☐ remove the directories `elkparser` and change it to a `*.py` module @critical @Pedram
✔ remove the directories `frmsfparser` and change it to a `*.py` module @critical @Logan @done(22-05-15 15:52)
☐ remove the directories `lobsterparser` and change it to a `*.py` module @critical @Logan
☐ remove the directories `qeparser` and change it to a `*.py` module @critical @Logan
☐ remove the directories `vaspxml` @critical @Pedram
✔ `plotter.dos_plot` @done(22-05-15 14:07)
✔ add python typing to all of the functions @low @Logan @done(22-05-15 14:07)
✔ remove pyprocar.doscarplot module (redundant) @low @Logan @done(22-05-15 14:07)
☐ `.`
☐ change all n* variables to n_* variable (norbital to n_orbital) @low @Pedram
☐ remove importing skimage, pyvista, trimesh, matplotlib, numpy, and seekpath. It is not needed here @low @Pedram
☐ create a function in utils that does ProcarFileFilter @critical @Pedram
☐ create a directory named _old to move all of the old functionalities there. need to pass all of the old tests @critical @Pedram
☐ organize the imports with the following order
1. builtin
2. external
3. internal
Todo testing:
☐ add *pytest* to every functionality @critical
☐ vasp
☐ bands non polarized @Pedram
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands polarized @Pedram
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands noncollinear @Pedram
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands unfolding @Pedram
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ dos @Logan
☐ plain
☐ parametric
☐ stacked
☐ fermi surface @Pedram @Logan
☐ plain
☐ spin
☐ parametric
☐ elk @Pedram
☐ bands non polarized
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands polarized
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands noncollinear
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands unfolding
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ QE @Logan
☐ bands non polarized
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands polarized
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands noncollinear
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands unfolding
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ Abinit @Utpala
☐ bands non polarized
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands polarized
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands noncollinear
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms
☐ bands unfolding
☐ plain
☐ parametric
☐ scatter
☐ stack orbital
☐ stack atoms