| # | Line 1 | Line 1 | |
|---|---|---|
| 1 | < | #include <cstdlib> |
| 1 | > | #include <stdlib.h> |
| 2 | ||
| 3 | ||
| 4 | #include "Molecule.hpp" | |
| # | Line 198 | Line 198 | double Molecule::getCOMvel( double COMvel[3] ) { | |
| 198 | return mtot; | |
| 199 | ||
| 200 | } | |
| 201 | + | |
| 202 | + | double Molecule::getTotalMass() |
| 203 | + | { |
| 204 | + | int natoms; |
| 205 | + | Atom** atoms; |
| 206 | + | double totalMass; |
| 207 | + | |
| 208 | + | natoms = getNAtoms(); |
| 209 | + | atoms = getMyAtoms(); |
| 210 | + | totalMass = 0; |
| 211 | + | for(int i =0; i < natoms; i++){ |
| 212 | + | totalMass += atoms[i]->getMass(); |
| 213 | + | } |
| 214 | + | |
| 215 | + | return totalMass; |
| 216 | + | } |
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