json controls in .oqp¶
.oqp control reference
Use canonical routes and controls in input files. Raw names
identify implementation storage. A control without an accepted canonical
spelling is not available in .oqp files.
The json section carries advanced restart metadata used by internal JSON
interfaces. Most users should configure the calculation through the normal
route and guess section instead.
scf_type, basis, library, do_init¶
| Keyword | Type | Default | Meaning |
|---|---|---|---|
scf_type |
string | empty | Saved/imported SCF reference metadata used by a JSON guess. |
basis |
string | empty | Saved/imported basis metadata used by a JSON guess. |
library |
string | empty | Saved/imported basis-library mapping used by a JSON guess. |
do_init |
string | no |
Internal no/yes marker set when a JSON basis/library mismatch requires updating scf.init_*; not a normal user switch. |
These keys are compatibility metadata, not an alternative to the .oqp
method, basis, and reference syntax.