fix index error in casida mode (!181) · Merge requests · octopus-code / octopus · GitLab

Sebastian Ohlmann requested to merge fix-casida into develop Mar 26, 2018

for matrices of even size, half of the rows to be computed have one entry less than the other half
with the previous indexing, some elements are computed twice, others remain zero
with the fix, the full matrix is computed

Fixes #74 (closed), already merged to master.