Created by Alberto Garcia on 2018-06-13 and last modified on 2018-10-10
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Alberto Garcia

Recent revisions

694. By Alberto Garcia on 2018-10-10

Wrap MPI check on number of procs for ELSI solver

693. By Alberto Garcia on 2018-09-15

Add Si quantum dot test case for ELSI

692. By Alberto Garcia on 2018-09-14

Fix bug in computation of Delta-V for PEXSI mu bracketing

A new array is needed to properly update the value of the
change in potential.

(+ added a declaration for 'date_stamp' in the auxiliary
code for version compatibility)

691. By Alberto Garcia on 2018-08-30

Change the spin-reduction convention for entropy

For ELSI versions after 2018-08-17, there is no need to reduce over spins
when computing the entropy.

To use older versions (such as the 2.0.2 release), use the preprocessor symbol


If the version is 'old', but the above symbol is not used, a compilation error will
be triggered. (This works by means of a call to 'elsi_get_datestamp', which was added just
around the same time as the spin-reduction-convention change: Aug 17 vs Aug 21, 2018.
ELSI versions in between will not work without further intervention.

690. By Alberto Garcia on 2018-07-10

Update documentation. Check that Nodes is a multiple of nk*nspin

689. By Alberto Garcia on 2018-07-04

Fix weight of DM and EDM. Working

688. By Alberto Garcia on 2018-07-04

Do not make shadow copies of elsi_global_comm

687. By Alberto Garcia on 2018-07-04

Change some ptrs to allocs. Fix communicators

686. By Alberto Garcia on 2018-07-04

Do sequential transfers to avoid contention

685. By Alberto Garcia on 2018-07-04

WIP; make my_S, my_H, etc allocatables

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