brainandforce/Electrum.jl

Issues

• TagBot trigger issue

  #168 opened 2 years ago by JuliaTagBot
  19

• `atoms()` not defined

  #212 opened a year ago by xamberl
  1

• Integration of LengthFreeStaticMatrices.jl

  #211 opened a year ago by brainandforce
  0

• The typing of `KPoint{D}` needs to be changed

  #204 opened a year ago by brainandforce
  2

• Compatibility/interoperability with AtomsBase

  #142 opened 2 years ago by brainandforce
  7

• Support for Quantum Espresso

  #201 opened a year ago by brainandforce
  0

• Increasing the flexibility of `DataGrid`

  #197 opened a year ago by brainandforce
  0

• The subtype relation of `PlanewaveWavefunction` is wrong

  #193 opened a year ago by brainandforce
  0

• JLD2 output support (and how to serialize `PlanewaveWavefunction`)

  #200 opened a year ago by brainandforce
  0

• `read_abinit_WFK` does not store k-points

  #191 opened a year ago by brainandforce
  0

• `readPOSCAR` does not handle Cartesian POSCARS

  #183 opened a year ago by xamberl
  0

• Start packaging things up into submodules

  #182 opened a year ago by brainandforce
  0

• Gradient for `RealSpaceDataGrid`

  #157 opened a year ago by brainandforce
  1

• Reducing the resource usage of `readWAVECAR()` and `ReciprocalSpaceWavefunction{D,T}`

  #8 opened 2 years ago by brainandforce
  4

• Voxel size incorrectly references the length of the basis and not the length of the grid

  #170 opened 2 years ago by xamberl
  0

• `lengths()` fails for RealBasis

  #169 opened 2 years ago by xamberl
  1

• Calculating number of k-points in the irreducible Brillouin zone for `KPointGrid{D}`

  #17 opened 2 years ago by brainandforce
  1

• Returning `PlanewaveWavefunction` in other functions

  #160 opened 2 years ago by xamberl
  3

• Reading everything in a VASP calculation at once

  #126 opened 2 years ago by brainandforce
  1

• Defining the package's unit system

  #143 opened 2 years ago by brainandforce
  2

• What is `maxHKLindex()` doing? Implications for reading wavefunction files

  #162 opened 2 years ago by brainandforce
  1

• k-point data type

  #150 opened 2 years ago by brainandforce
  1

• Seysen basis reduction (of real and reciprocal lattices simultaneously)

  #144 opened 2 years ago by brainandforce
  0

• Making `supercell()` work for arbitary matrices

  #127 opened 2 years ago by brainandforce
  7

• Feature request: Add ability to read in VASP DOSCARS with spin

  #130 opened 2 years ago by xamberl
  0

• Getting codecov to work on `main` and upload data

  #123 opened 2 years ago by brainandforce
  2

• Potentially non-concrete return type from `readXSF3D()`

  #30 opened 2 years ago by brainandforce
  1

• Moving pseudopotential functionality to a different package

  #63 opened 2 years ago by brainandforce
  2

• readPROCAR returns old FatBands struct

  #57 opened 3 years ago by xamberl
  1

• Reading ABINIT WFK files

  #27 opened 3 years ago by brainandforce
  1

• M not defined in Xtal.ProjectedDensityOfStates

  #20 opened 3 years ago by xamberl
  2