ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

adjust code in switch statement for enabling colvars similar to what is done for disabling

Browse Source
This commit is contained in:
Axel Kohlmeyer
2015-10-13 19:13:12 -04:00
parent 974e07076b
commit 8dc20218b0
1 changed files with 15 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

17
lib/colvars/colvar.cpp
View File

@ -638,6 +638,7 @@ int colvar::enable(colvar::task const &t)
case task_output_system_force:
enable(task_system_force);
tasks[t] = true;
break;
case task_report_Jacobian_force:
@ -646,6 +647,7 @@ int colvar::enable(colvar::task const &t)
if (cvm::debug())
cvm::log("Adding the Jacobian force to the system force, "
"rather than applying its opposite silently.\n");
tasks[t] = true;
break;
case task_Jacobian_force:
@ -669,6 +671,7 @@ int colvar::enable(colvar::task const &t)
"on this colvar.\n");
}
fj.type(value());
tasks[t] = true;
break;
case task_system_force:
@ -683,6 +686,7 @@ int colvar::enable(colvar::task const &t)
}
ft.type(value());
ft_reported.type(value());
tasks[t] = true;
break;
case task_output_applied_force:
@ -690,16 +694,19 @@ int colvar::enable(colvar::task const &t)
case task_upper_wall:
// all of the above require gradients
enable(task_gradients);
tasks[t] = true;
break;
case task_fdiff_velocity:
x_old.type(value());
v_fdiff.type(value());
v_reported.type(value());
tasks[t] = true;
break;
case task_output_velocity:
enable(task_fdiff_velocity);
tasks[t] = true;
break;
case task_grid:
@ -708,11 +715,13 @@ int colvar::enable(colvar::task const &t)
this->name+"\", because its value is not a scalar number.\n",
INPUT_ERROR);
}
tasks[t] = true;
break;
case task_extended_lagrangian:
enable(task_gradients);
v_reported.type(value());
tasks[t] = true;
break;
case task_lower_boundary:
@ -722,16 +731,17 @@ int colvar::enable(colvar::task const &t)
"and cannot produce a grid.\n",
INPUT_ERROR);
}
tasks[t] = true;
break;
case task_output_value:
case task_runave:
case task_corrfunc:
case task_ntot:
case task_langevin:
case task_output_energy:
case task_scripted:
case task_gradients:
tasks[t] = true;
break;
case task_collect_gradients:
@ -745,10 +755,13 @@ int colvar::enable(colvar::task const &t)
if (atom_ids.size() == 0) {
build_atom_list();
}
tasks[t] = true;
break;
default:
break;
}
tasks[t] = true;
return (cvm::get_error() ? COLVARS_ERROR : COLVARS_OK);
}