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colvarscript_commands_bias.h File Reference

Go to the source code of this file.

Functions
	CVSCRIPT (bias_bin,"Get the current grid bin index(1D ABF only for now)\n""bin:integer-Bin index", 0, 0,"", script->set_result_int(this_bias->current_bin());return COLVARS_OK;) CVSCRIPT(bias_bincount
Get the number of samples at the given grid	bin (1D ABF only for now)\n""samples
script	set_result_int (this_bias->bin_count(index))
	CVSCRIPT (bias_binnum,"Get the total number of grid points of this bias(1D ABF only for now)\n""Bins:integer-Number of grid points", 0, 0,"", int r=this_bias->bin_num();if(r< 0){script->add_error_msg("Error:calling bin_num() for bias"+this_bias->name);return COLVARSCRIPT_ERROR;}script->set_result_int(r);return COLVARS_OK;) CVSCRIPT(bias_delete
	CVSCRIPT (bias_energy,"Get the current energy of this bias\n""E:float-Energy value", 0, 0,"", script->set_result_real(this_bias->get_energy());return COLVARS_OK;) CVSCRIPT(bias_get
Get the value of the given feature for this bias n return script	proc_features (this_bias, objc, objv)
	CVSCRIPT (bias_getconfig,"Return the configuration string of this bias\n""conf:string-Current configuration string", 0, 0,"", script->set_result_str(this_bias->get_config());return COLVARS_OK;) CVSCRIPT(bias_help
Variables
return	COLVARS_OK
Delete this	bias
Delete this delete	this_bias
Get the value of the given feature for this bias n	state
Get the value of the given feature for this bias n	feature
Get a help summary or the help string of one bias subcommand n	help
Get a help summary or the help string of one bias subcommand n	command

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Function Documentation

Get the number of samples at the given grid bin (  1D ABF only for    now )

Definition at line 21 of file colvarscript_commands_bias.h. References COLVARSCRIPT_ERROR, and this_bias. Referenced by cuda_shortrange, cuda_shortrange_nonperiodic, fill_atom_bins, Msmpot_compute_shortrng_bin_hashing, colvar_grid::read_multicol, vmd_cuda_evaluate_occupancy_map, vmd_cuda_num_devices, and colvar_grid_gradient::write_1D_integral.

CVSCRIPT (  bias_getconfig   , "Return the configuration string of this bias\n""conf:string-Current configuration string"   , 0   , 0   , ""   , script-   , set_result_str(this_bias->get_config());return COLVARS_OK;    )

CVSCRIPT (  bias_energy   , "Get the current energy of this bias\n""E:float-Energy value"   , 0   , 0   , ""   , script-   , set_result_real(this_bias->get_energy());return COLVARS_OK;    )

CVSCRIPT (  bias_binnum   , "Get the total number of grid points of this bias(1D ABF only for now)\n""Bins:integer-Number of grid points"   , 0   , 0   , ""   , int    r = this_bias- )

CVSCRIPT (  bias_bin   , "Get the current grid bin index(1D ABF only for now)\n""bin:integer-Bin index"   , 0   , 0   , ""   , script-   , set_result_int(this_bias->current_bin());return COLVARS_OK;    )

Get the value of the given feature for this bias n return script proc_features (  this_bias   , objc   , objv    )

script set_result_int (  this_bias-   , bin_count(index)    )

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Variable Documentation

Delete this bias

Definition at line 55 of file colvarscript_commands_bias.h.

return COLVARS_OK

Definition at line 59 of file colvarscript_commands_bias.h.

Get a help summary or the help string of one bias subcommand n command

Definition at line 90 of file colvarscript_commands_bias.h. Referenced by SaveTrajectoryFltkMenu::act_on_command, and VRJugglerSharedData::readObject.

Get the value of the given feature for this bias n feature

Definition at line 73 of file colvarscript_commands_bias.h. Referenced by colvarmodule::cite_feature, colvardeps::decr_ref_count, colvardeps::disable, colvardeps::enable, colvar::cvc::init_dependencies, colvarbias::init_dependencies, and colvar::init_dependencies.

Get a help summary or the help string of one bias subcommand n help

Definition at line 90 of file colvarscript_commands_bias.h.

Get the value of the given feature for this bias n state

Definition at line 73 of file colvarscript_commands_bias.h. Referenced by call_callbacks, init_gpu, Molecule::next_frame, OptiXRenderer::render_to_videostream, set_gpu_state, and IMDMgr::togglepause.

Delete this delete this_bias

Definition at line 55 of file colvarscript_commands_bias.h. Referenced by bin.

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