WORM
Enables sampling via the canonical worm algorithm adapted from Bonisegni [Edit on GitHub]
Keywords
Keyword descriptions
- ALLOW_OPEN
Type: logical
Default: TDescription: Enable bosonic exchange sampling
- CENTROID_DRMAX
Type: real
Default: 5.00000000E-001Description: Maximum displacement allowed for the centroid moves
- CENTROID_WEIGHT
Type: integer
Default: 10Description: Absolute weight of the centroid move
- CRAWL_REPETITION
Type: integer
Default: 4Description: Number of repeated crawl moves
- CRAWL_WEIGHT
Type: integer
Default: 10Description: Absolute weight of the crawl bwd/fwd moves (both)
- HEAD_TAIL_WEIGHT
Type: integer
Default: 10Description: Absolute weight of the head/tail moves (both)
- MAX_OPEN_CYCLES
Type: integer
Default: 0Description: If > 0 then reset positions and permutations to the previous closed state if staying more than this amount of MC cycles in open state to avoid staying trapped in open state for too long. Use with caution as it can potentially introduce a bias in the sampling.
- OPEN_CLOSE_SCALE
Type: real
Default: 1.00000000E-002Description: Open/Close acceptance adjustment parameter
- OPEN_CLOSE_WEIGHT
Type: integer
Default: 10Description: Absolute weight of the open/close move
- SHOW_STATISTICS
Type: logical
Default: TDescription: Show sampling statistics in output
- STAGING_L
Type: integer
Default: 5Description: From 2 up to max. L-1 beads will be moved
- STAGING_WEIGHT
Type: integer
Default: 30Description: Absolute weight of the staging move
- SWAP_WEIGHT
Type: integer
Default: 10Description: Absolute weight of the crawl move