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- cv bias name bin
Get the current grid bin index (1D ABF only for now)
- cv bias name bincount [index]
Get the number of samples at the given grid bin (1D ABF only for now)
Parameters
index : integer - Grid index; defaults to current bin (optional)
- cv bias name binnum
Get the total number of grid points of this bias (1D ABF only for now)
- cv bias name delete
Delete this bias
- cv bias name energy
Get the current energy of this bias
- cv bias name get <feature>
Get the value of the given feature for this bias
Parameters
feature : string - Name of the feature
- cv bias name getconfig
Return the configuration string of this bias
- cv bias name help [command]
Get a help summary or the help string of one bias subcommand
Parameters
command : string - Get the help string of this specific command (optional)
- cv bias name load <prefix>
Load data into this bias
Parameters
prefix : string - Read from a file with this name or prefix
- cv bias name loadfromstring <buffer>
Load state data into this bias from a string
Parameters
buffer : string - String buffer containing the state information
- cv bias name save <prefix>
Save data from this bias into a file with the given prefix
Parameters
prefix : string - Prefix for the state file of this bias
- cv bias name savetostring
Save data from this bias into a string and return it
- cv bias name set <feature> <value>
Set the given feature of this bias to a new value
Parameters
feature : string - Name of the feature
value : string - String representation of the new feature value
- cv bias name share
Share bias information with other replicas (multiple-walker scheme)
- cv bias name state
Print a string representation of the feature state of this bias
- cv bias name update
Recompute this bias and return its up-to-date energy
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