WORM

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

Keywords

• ALLOW_OPEN

• CENTROID_DRMAX

• CENTROID_WEIGHT

• CRAWL_REPETITION

• CRAWL_WEIGHT

• HEAD_TAIL_WEIGHT

• MAX_OPEN_CYCLES

• OPEN_CLOSE_SCALE

• OPEN_CLOSE_WEIGHT

• SHOW_STATISTICS

• STAGING_L

• STAGING_WEIGHT

• SWAP_WEIGHT

Keyword descriptions

ALLOW_OPEN: logical = T

Enable bosonic exchange sampling [Edit on GitHub]

CENTROID_DRMAX: real = 5.00000000E-001

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

CENTROID_WEIGHT: integer = 10

Absolute weight of the centroid move [Edit on GitHub]

CRAWL_REPETITION: integer = 4

Number of repeated crawl moves [Edit on GitHub]

CRAWL_WEIGHT: integer = 10

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

HEAD_TAIL_WEIGHT: integer = 10

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

MAX_OPEN_CYCLES: integer = 0

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: real = 1.00000000E-002

Open/Close acceptance adjustment parameter [Edit on GitHub]

OPEN_CLOSE_WEIGHT: integer = 10

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

SHOW_STATISTICS: logical = T

Show sampling statistics in output [Edit on GitHub]

STAGING_L: integer = 5

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

STAGING_WEIGHT: integer = 30

Absolute weight of the staging move [Edit on GitHub]

SWAP_WEIGHT: integer = 10

Absolute weight of the crawl move [Edit on GitHub]