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- 762. By Alberto Garcia
-
Add option to keep input distribution to cellXC
By settting the optional argument 'keep_input_
distribution' to
.true., the internal workload balancer in cellXC is deactivated,
and the input distribution kept for the XC computations. This is
advantageous when the client program has better workload-balancers
available. - 761. By Alberto Garcia
-
Use "yes/no" distribution as initial one in SiestaXC
Give SiestaXC a head start with the appropriate distribution by
using the "yes/no" (called 'LINEAR') distribution from BSC as the
initial one. Just specify the box (with the appropriate conversions)
and let SiestaXC re-work its internal distribution list. - 760. By Alberto Garcia
-
Refrain for now from making BSC's cellxc the default
Leave the fdf statements to select version, but leave SiestaXC
as the default for now. - 758. By Alberto Garcia
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Remove BSC_CELLXC preprocessor blocks
By default, the BSC version of cellxc is used unless there
is a vdw functional in the "cocktail".In 'forhar', the BSC version is used by default (no vdw
functionals might (ever?) be compatible with the Harris
option).The user can control this behavior by means of the fdf
logical variable:XC.Use.
BSC.CellXC (T/F) - 757. By Alberto Garcia
-
Consolidate BSC_CELLXC blocks in forhar + fix potential bugs
A number of 'reord' operations towards 'sequential' fine-point
ordering (which were compiled-in only for the new interface) have been
removed, as all the arrays involved are already in 'sequential' form.Tests show that these changes do not seem to affect the results, however.
The 'forhar' interface uses the 'ntm' argument in all cases, to simplify
the code. - 753. By Alberto Garcia
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Have bsc_cellxc use the lower-level gridxc interfaces
BSC's version of cellxc now uses ldaxc, ggaxc, and setxc/getxc from
libGridXC. This enhances its functionality (more functionals) and
saves on duplicated code.In 'meshsubs', 'distriphionmesh' now accepts an extra argument to flag
the need for stencil initilization.
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