763 |
|
useRF = 0; |
764 |
|
useSF = 0; |
765 |
|
useSP = 0; |
766 |
+ |
useBoxDipole = 0; |
767 |
|
|
768 |
|
|
769 |
|
if (simParams_->haveElectrostaticSummationMethod()) { |
950 |
|
nOneTwo = oneTwoInteractions_.getSize(); |
951 |
|
nOneThree = oneThreeInteractions_.getSize(); |
952 |
|
nOneFour = oneFourInteractions_.getSize(); |
952 |
– |
|
953 |
– |
std::cerr << "excludedInteractions contains: " << excludedInteractions_.getSize() << " pairs \n"; |
954 |
– |
std::cerr << "oneTwoInteractions contains: " << oneTwoInteractions_.getSize() << " pairs \n"; |
955 |
– |
std::cerr << "oneThreeInteractions contains: " << oneThreeInteractions_.getSize() << " pairs \n"; |
956 |
– |
std::cerr << "oneFourInteractions contains: " << oneFourInteractions_.getSize() << " pairs \n"; |
953 |
|
|
954 |
|
int* excludeList = excludedInteractions_.getPairList(); |
955 |
|
int* oneTwoList = oneTwoInteractions_.getPairList(); |