@@ -183,7 +183,7 @@ plumed plumedmain; plumedmain=plumed_create(); // Create the plu
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@@ -183,7 +183,7 @@ plumed plumedmain; plumedmain=plumed_create(); // Create the plu
plumed_cmd(plumedmain,"setRealPrecision",&real_precision); // Pass a pointer to an integer containing the size of a real number (4 or 8)
plumed_cmd(plumedmain,"setRealPrecision",&real_precision); // Pass a pointer to an integer containing the size of a real number (4 or 8)
plumed_cmd(plumedmain,"setMDEnergyUnits",&energyUnits); // Pass a pointer to the conversion factor between the energy unit used in your code and kJ mol-1
plumed_cmd(plumedmain,"setMDEnergyUnits",&energyUnits); // Pass a pointer to the conversion factor between the energy unit used in your code and kJ mol-1
plumed_cmd(plumedmain,"setMDLengthUnits",&lengthUnits); // Pass a pointer to the conversion factor between the length unit used in your code and nm
plumed_cmd(plumedmain,"setMDLengthUnits",&lengthUnits); // Pass a pointer to the conversion factor between the length unit used in your code and nm
plumed_cmd(plumedmain,"setMDTimeUnits",&timeUnits); // Pass a pointer to the conversion factor between the time unit used in your code and fs?
plumed_cmd(plumedmain,"setMDTimeUnits",&timeUnits); // Pass a pointer to the conversion factor between the time unit used in your code and ps
plumed_cmd(plumedmain,"setPlumedDat",&plumedInput); // Pass the name of the plumed input file from the md code to plumed
plumed_cmd(plumedmain,"setPlumedDat",&plumedInput); // Pass the name of the plumed input file from the md code to plumed
plumed_cmd(plumedmain,"setMPIComm",&MPI_COMM_WORLD); // Pass a pointer to the MPI communicator to plumed?
plumed_cmd(plumedmain,"setMPIComm",&MPI_COMM_WORLD); // Pass a pointer to the MPI communicator to plumed?
plumed_cmd(plumedmain,"setNatoms",&natoms); // Pass a pointer to the number of atoms in the system to plumed
plumed_cmd(plumedmain,"setNatoms",&natoms); // Pass a pointer to the number of atoms in the system to plumed