Siesta

lp:~albertog/siesta/siesta-max

Created by Alberto Garcia and last modified

This branch holds the code for the non-LinRes part of the MaX R3 release. It differs from trunk in that the PSML and the ELSI functionality have been merged in.
These pieces have not been merged into 'trunk' yet due to the need for extra libraries, which complicates matters for normal users until a more automated mechanism is incorporated. The ESL bundle functionality will be harnessed for this.

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bzr branch lp:~albertog/siesta/siesta-max
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Branch information

Owner:
Alberto Garcia
Project:
Siesta
Status:
Development

Recent revisions

601. By Alberto Garcia

Wrap MPI check on number of procs for ELSI solver

600. By Alberto Garcia

Fix possible race condition in multi-threaded compilation

599. By Alberto Garcia

Merge k-point-enabled ELSI interface

Note that this version of the ELSI interface is "maximally parallel":
the number of processors has to be a multiple of nspin*nk.

598. By Alberto Garcia

Fix bug in auxcell folding for ELSI

597. By Alberto Garcia

Merge ELSI interface

596. By Alberto Garcia

Update README and RELEASE_NOTES

595. By Alberto Garcia

Sync to trunk-710: fixed electrode options

594. By Alberto Garcia

Siesta-PSML-R1 release

593. By Alberto Garcia

Sync to trunk-709: new DOS kpoint options

592. By Alberto Garcia

Add README_PSML file. Update manual

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Stacked on:
lp:siesta
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