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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
state
Get the value of the given
feature for this bias
feature
Get a help summary or the
help string of one bias subcommand
help
Get a help summary or the
help string of one bias subcommand
command


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  ,
 ,
 ,
""   ,
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"   ,
 ,
 ,
""   ,
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"   ,
 ,
 ,
""   ,
int    r = this_bias-
 

CVSCRIPT bias_bin   ,
"Get the current grid bin index(1D ABF only for now)\n""bin:integer-Bin index"   ,
 ,
 ,
""   ,
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)   
 


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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