casino_results
Read a CASINO job's output and return structured results: energies, error bars, variance, per-block data, and the current DMC estimate—even for unfinished runs.
Instructions
Physics out of a job's files: energies, error bars, variance, per-block numbers.
Reads out and returns it as phases, because a CASINO run is a sequence of them and not
one result: vmc_opt writes a VMC and an optimization phase per cycle, vmc_dmc writes
VMC, DMC equilibration and DMC statistics accumulation. result points at the number that
is this run's answer, and every value carries the file and line it was read from. Nothing
is computed here that CASINO did not print, and a value it did not print comes back as null
with the reason.
A DMC run that has not ended is readable too, and this is the only way to read one: CASINO
writes the mixed estimators into out at the very end, and until then the current estimate
lives in dmc.status, which it rewrites after every statistics block and deletes when the
run finishes. When that file is there it is parsed into dmc_status and result points at
it, so a running job answers with the estimate as of its last block -- and never with the
VMC energy of the configuration-generation phase, which is the trial wave function's and not
the calculation's. A run stopped by casino_stop keeps its dmc.status, so the last estimate
it reached survives the stop.
While the run is still equilibrating there is no DMC energy anywhere yet, and result then
says so rather than answering with an earlier phase.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| job_id | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||