Commit History
-
add bi2c_1k with updated cutoff value
TODO: scale GTOs properly to avoid the 10% of zero integrals27ad58c -
change `index` field to `target_size` field.
This commit moves 2e-integrals to a more CSR-like format, making downstream concatenation much simpler.93423ab -
add IntegralGen.jl
61e6ac9 -
fix center(atoms) polymorphism
c22034c -
add Integrals.jl
0587dae -
add licence, Shells.jl and ShellGen.jl
d4fc45a