WORM

Enables sampling via the canonical worm algorithm adapted from Bonisegni [Edit on GitHub]

Keywords

Keyword descriptions

ALLOW_OPEN

Type: logical
Default: T

Description: Enable bosonic exchange sampling [Edit on GitHub]

CENTROID_DRMAX

Type: real
Default: 5.00000000E-001

Description: Maximum displacement allowed for the centroid moves [Edit on GitHub]

CENTROID_WEIGHT

Type: integer
Default: 10

Description: Absolute weight of the centroid move [Edit on GitHub]

CRAWL_REPETITION

Type: integer
Default: 4

Description: Number of repeated crawl moves [Edit on GitHub]

CRAWL_WEIGHT

Type: integer
Default: 10

Description: Absolute weight of the crawl bwd/fwd moves (both) [Edit on GitHub]

HEAD_TAIL_WEIGHT

Type: integer
Default: 10

Description: Absolute weight of the head/tail moves (both) [Edit on GitHub]

MAX_OPEN_CYCLES

Type: integer
Default: 0

Description: 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. [Edit on GitHub]

OPEN_CLOSE_SCALE

Type: real
Default: 1.00000000E-002

Description: Open/Close acceptance adjustment parameter [Edit on GitHub]

OPEN_CLOSE_WEIGHT

Type: integer
Default: 10

Description: Absolute weight of the open/close move [Edit on GitHub]

SHOW_STATISTICS

Type: logical
Default: T

Description: Show sampling statistics in output [Edit on GitHub]

STAGING_L

Type: integer
Default: 5

Description: From 2 up to max. L-1 beads will be moved [Edit on GitHub]

STAGING_WEIGHT

Type: integer
Default: 30

Description: Absolute weight of the staging move [Edit on GitHub]

SWAP_WEIGHT

Type: integer
Default: 10

Description: Absolute weight of the crawl move [Edit on GitHub]