v0.1.18

Electrum v0.1.18

Diff since v0.1.17

Merged pull requests:

• Begin active development of 0.2 (#208) (@brainandforce)
• BySpace and ByCoordinate traits have been refactored and exported (#209) (@brainandforce)
• Added CoordinateVector to represent coordinates in real/reciprocal space (#210) (@brainandforce)
• Version 0.1.18: fixes to writeXYZ() (#213) (@brainandforce)

Closed issues:

• The typing of KPoint{D} needs to be changed (#204)

v0.1.17

Electrum v0.1.17

Diff since v0.1.16

Merged pull requests:

• eachvertex iterator for RealBasis, ReciprocalBasis, and even AbstractMatrix types (#202) (@brainandforce)
• Split documentation for different data types into new sections (#203) (@brainandforce)
• Features/spin bivector (#205) (@brainandforce)
• ShiftVector{S,D,T} type as a generic type, which KPoint{D,T} is an alias of (#206) (@brainandforce)
• inv(::LatticeBasis) should return the matrix inverse, not the dual lattice (#207) (@brainandforce)

v0.1.16

Electrum v0.1.16

Diff since v0.1.15

Merged pull requests:

• Fixes for LatticeBasis and energies/occupancies (#198) (@brainandforce)
• New Multiplicity{M} type (#199) (@brainandforce)

v0.1.15

Electrum v0.1.15

Diff since v0.1.14

Merged pull requests:

• EnergyOccupancy data type and methods (#195) (@brainandforce)
• nonzero_g_indices and nonzero_g_vectors functions (#196) (@brainandforce)

v0.1.14

Electrum v0.1.14

Diff since v0.1.13

v0.1.13

Electrum v0.1.13

Diff since v0.1.12

Merged pull requests:

• Fix/vasp energies (#190) (@xamberl)

v0.1.12

Electrum v0.1.12

Diff since v0.1.11

Merged pull requests:

• Add min_energy(::PlanewaveWavefunction) and max_energy(::PlanewaveWavefunction) (#188) (@brainandforce)
• New Electrum.dimension internal function and upgrades to Electrum.DataSpace methods (#189) (@brainandforce)

v0.1.11

Electrum v0.1.11

Diff since v0.1.10

Merged pull requests:

• NamedAtom now uses the InlineString15 type for its field (#187) (@brainandforce)

v0.1.10

Electrum v0.1.10

Diff since v0.1.9

Merged pull requests:

• Support for POSCARs with Cartesian coordinates (#184) (@brainandforce)
• Improvement in NamedAtom(::AbstractString) constructor and extra docstrings/tests (#185) (@brainandforce)
• Fix/documentation builds (#186) (@brainandforce)

Closed issues:

• readPOSCAR does not handle Cartesian POSCARS (#183)

v0.1.9

Electrum v0.1.9

Diff since v0.1.8

Merged pull requests:

• Remove automatic k-point rounding (#181) (@brainandforce)