Skip to content

speeded up writing HSX file format

Nick R. Papior requested to merge npapior/siesta:hsx-improvements into master

Instead of using the old MPI communication we now use the block-communication scheme which greatly reduces number of messages (and it seems to be much much faster).

The file-format also changed a bit. Instead of storing no_s, it now stores nsc for clarity.

This is a WIP since I would like to adjust HSX format a final time (also contain Ef). This would make the file-format complete and easily extendable.

Edited by Nick R. Papior

Merge request reports