version 1.8 | version 1.9 |
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| |
} | } |
} | } |
| |
| if (cmd == "addenergy") { |
| if (argc == 3) { |
| colvars->total_bias_energy += strtod(argv[2], NULL); |
| return COLVARS_OK; |
| } else { |
| result = "Wrong arguments to command \"addenergy\"\n" + help_string(); |
| return COLVARSCRIPT_ERROR; |
| } |
| } |
| |
result = "Syntax error\n" + help_string(); | result = "Syntax error\n" + help_string(); |
return COLVARSCRIPT_ERROR; | return COLVARSCRIPT_ERROR; |
} | } |
| |
// TODO disable() function does not exist yet, | // TODO disable() function does not exist yet, |
// dependencies will not be resolved | // dependencies will not be resolved |
// obj->disable(fid); | // obj->disable(fid); |
obj->feature_states[fid]->enabled = false; | obj->set_enabled(fid, false); |
return COLVARS_OK; | return COLVARS_OK; |
} | } |
} | } |
| |
load <file name> -- load a state file (requires configuration)\n\ | load <file name> -- load a state file (requires configuration)\n\ |
save <file name> -- save a state file (requires configuration)\n\ | save <file name> -- save a state file (requires configuration)\n\ |
update -- recalculate colvars and biases\n\ | update -- recalculate colvars and biases\n\ |
| addenergy <E> -- add <E> to the total bias energy\n\ |
printframe -- return a summary of the current frame\n\ | printframe -- return a summary of the current frame\n\ |
printframelabels -- return labels to annotate printframe's output\n"; | printframelabels -- return labels to annotate printframe's output\n"; |
| |