Blocks of wave-functions are not dynamically stored
Bug #1536648 reported by
Alberto Garcia
This bug affects 1 person
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
libPSML |
Fix Released
|
Medium
|
Alberto Garcia |
Bug Description
The dynamical data structures used for semilocal potentials and nonlocal projectors are able to store all data specified in the PSML file, such as annotations and mid-level grids. This is not yet done for the pseudo-
Changed in libpsml: | |
status: | Triaged → Fix Released |
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This is not critical, except when we want to preserve all the PSML file information in a dump of the ps_t structure obtained from it. Currently only the last grid and annotation will be stored.