issues
search
electronic-structure
/
SIRIUS
Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
115
stars
40
forks
source link
[enhancement] use strong type for G-vector index
#967
Closed
toxa81
closed
4 months ago
toxa81
commented
4 months ago
remove index_domain_t and introduce strong type for G-vector index
introduce iterator for G-vectors
also introduce skip_g0() wrapper function to skip G=0 component