vibeqc.MemoryEstimate¶

class vibeqc.MemoryEstimate(by_category=<factory>, headroom_factor=<factory>, dims=<factory>, safety_factor=1.0, category_details=<factory>, phase_peaks=<factory>)[source]¶

Bases: object

Peak memory estimate for a calculation.

All byte counts are integers (pre-headroom). total_bytes multiplies the raw peak by headroom_factor so the headline figure already carries a safety margin. Most estimators are a single phase and therefore use the sum of by_category. Sequential post-HF estimators populate phase_peaks; their raw peak is the largest phase instead of the physically impossible sum of SCF, integral-build, solver, and perturbative-correction transients.

dims carries key scale dimensions (n_basis, n_occ, n_vir, n_aux, n_threads) so the formatted output can show why the estimate is the size it is. safety_factor records the largest estimator-specific safety factor already folded into a category; it is separate from the job-wide headroom_factor. Estimators should populate these fields with the values they used.

Parameters:

by_category (dict[str, int])
headroom_factor (float)
dims (dict[str, int])
safety_factor (float)
category_details (dict[str, str])
phase_peaks (dict[str, int])

__init__(by_category=<factory>, headroom_factor=<factory>, dims=<factory>, safety_factor=1.0, category_details=<factory>, phase_peaks=<factory>)¶

Parameters:

by_category (dict[str, int])
headroom_factor (float)
dims (dict[str, int])
safety_factor (float)
category_details (dict[str, str])
phase_peaks (dict[str, int])

Return type:

None

Methods

`__init__`([by_category, headroom_factor, ...])
`format`([available, status])	Render the standard memory-report block.

Attributes

`raw_total_bytes`
`safety_factor`
`total_bytes`
`total_gb`
`by_category`
`headroom_factor`
`dims`
`category_details`
`phase_peaks`

by_category: dict[str, int]¶

headroom_factor: float¶

dims: dict[str, int]¶

safety_factor: float = 1.0¶

category_details: dict[str, str]¶

phase_peaks: dict[str, int]¶

property raw_total_bytes: int¶

property total_bytes: int¶

property total_gb: float¶

format(available=None, *, status='Proceeding')[source]¶

Render the standard memory-report block. available is the current process’s available RAM in bytes; if None we probe live.

Parameters:

available (int | None)
status (Literal['Proceeding', 'ABORTING', 'Proceeding (override)'])

Return type:

str