Closed slaymuel closed 5 years ago
Loops over all atoms should be done like this: for(int i = 0; i < particles.numOfParticles; i++){ for(int j = 0; j < particles[i].numOfAtoms; j++){
for(int i = 0; i < particles.numOfParticles; i++){
for(int j = 0; j < particles[i].numOfAtoms; j++){
Should also keep lists of atoms which are separated by > 3 bonds
Loops over all atoms should be done like this:
for(int i = 0; i < particles.numOfParticles; i++){for(int j = 0; j < particles[i].numOfAtoms; j++){Should also keep lists of atoms which are separated by > 3 bonds