Run

class Run : public feasst::Action

Perform a number of trials.

Public Functions

Run(argtype args = argtype())

The following arguments are completed in the order listed.

args:

• num_trials: run this many trials (default: -1. e.g., None)

• until_num_particles: run until this many particles (default: -1. e.g., None)

• configuration_index: configuration for until_num_particles (default: 0).

• particle_type: type of particle to count. If -1, all particles (default: -1).

• for_hours: run for this many CPU hours (default: -1 e.g., None).

• until_criteria_complete: run until Criteria is complete (default: false)

class RemoveTrial : public feasst::Action

Remove a Trial.

Public Functions

RemoveTrial(argtype args = argtype())

args:

• index: index of trial to remove, in order of trials added. If -1, do nothing. (default: -1).

• name: remove first trial with this class name, if not empty. (default: empty).

• all: remove all trials (default: false)

• name_contains: remove all trials with this in the class name, if not empty (default: empty). Similar to the name that appears in Log, if the class_name is Trial, use the description instead (e.g., TrialGrowadd in TrialGrow).

class RemoveAnalyze : public feasst::Action

Remove a Analyze.

Public Functions

RemoveAnalyze(argtype args = argtype())

args:

• index: index of analyze to remove, in the order added. If -1, do nothing. (default: -1).

• name: remove first analyze with this class name, if not empty. (default: empty).

• all: remove all analyzers (default: false)

class RemoveModify : public feasst::Action

Remove a Modify.

Public Functions

RemoveModify(argtype args = argtype())

args:

• index: index of modify to remove, in the order added. If -1, do nothing. (default: -1).

• name: remove first modify with this class name, if not empty. (default: empty).

• all: remove all modifiers (default: false)

class WriteCheckpoint : public feasst::Action

Write a Checkpoint.

class WriteStepper : public feasst::Action

Public Functions

WriteStepper(argtype args = argtype())

args:

class ConvertToRefPotential : public feasst::Action

Make a new reference potential based on an existing potential.

Public Functions

ConvertToRefPotential(argtype args = argtype())

args:

• potential_index: index of the full potential to copy as a template (default: 0).

• cutoff: set cutoff of all site_types to this value. Ignore if -1 (default: -1).

• use_cell: use VisitModelCell with cutoff as min_length (default: false).

class RefPotential : public feasst::Action

Add a reference potential. Unlike Potential, multiple RefPotential can use the same reference_index, which is 0 by default (see args).

Public Functions

RefPotential(argtype args = argtype())

args:

• Same arguments as Potential.

• reference_index: index of reference potential (default: 0).

class WriteModelParams : public feasst::Action

Write ModelParams to file.

Public Functions

WriteModelParams(argtype args = argtype())

args:

• file_name: name of file to write.

• potential_index: index of potential. If -1, use Configuration (default: -1)

• reference_index: index of reference potential (default: -1).