colvarscript_commands_bias.h File Reference

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

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.