Use an opaque gridxc object for config and xc info
Registered by
Alberto Garcia
Some configuration parameters of the library are currently global variables. We should use an opaque object
that carries the information within itself, and that is an argument on gridxc calls.
call gridxc_config(gxc, params ....)
call atomxc(gxc,dens, ....)
call cellxc(gxc,....)
Blueprint information
- Status:
- Started
- Approver:
- None
- Priority:
- Undefined
- Drafter:
- Alberto Garcia
- Direction:
- Needs approval
- Assignee:
- None
- Definition:
- New
- Series goal:
- None
- Implementation:
-
Started
- Milestone target:
-
0.9
- Started by
- Alberto Garcia
- Completed by
Whiteboard
Started to work on this.
The xc info is easy.
The MPI communicator and myNode, etc, seems easy.
There are, however, some saved internal variables in cellxc that need to be handled.
(?)
