Couple SIESTA with the CheSS library

Registered by Stephan Mohr on 2016-06-20

Couple SIESTA with the CheSS library to calculate the density matrix with linear scaling.

Blueprint information

Status:
Complete
Approver:
Nick Papior
Priority:
High
Drafter:
Stephan Mohr
Direction:
Approved
Assignee:
Stephan Mohr
Definition:
Approved
Series goal:
None
Implementation:
Implemented
Milestone target:
None
Started by
Stephan Mohr on 2016-06-20
Completed by
Nick Papior on 2017-10-08

Sprints

Whiteboard

Hi Nick,
please find below my answers. I will let you know as soon as everything is done.

Hi Stephan,

1) Your branch is in the 7th format, (all other siesta are in 6), this may yield difficulties in the merge process, in fact it is very difficult for me to go about this problem... :( I could, but I would probably prefer not to ;)
Could you revert to 6th and publish this?
You mean the version of the bazaar branch? I will see whether I can do this...
2) Your chess module requires some other modules, your current build, does it require an externally compiled flibs?
Yes, however I can supply you with a bundle which includes CheSS and all the required libraries. The dependencies within this bundle are also automatically handled, so I hope that this should be a minor problem
3) Your pre-processor flag is currently -DCHESS, I/we would like it to conform with the other flags -DSIESTA__CHESS (note the two __) it has less chance of replacing unwanted variables etc. :)
That's fine, I can easily change this

(?)

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