| # | Line 40 | Line 40 | |
|---|---|---|
| 40 | * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | |
| 41 | */ | |
| 42 | ||
| 43 | – | /** |
| 44 | – | * @file Stats.hpp |
| 45 | – | * @author tlin |
| 46 | – | * @date 11/04/2004 |
| 47 | – | * @time 23:56am |
| 48 | – | * @version 1.0 |
| 49 | – | */ |
| 50 | – | |
| 43 | #ifndef BRAINS_STATS_HPP | |
| 44 | #define BRAINS_STATS_HPP | |
| 45 | ||
| # | Line 80 | Line 72 | namespace OpenMD { | |
| 72 | ROTATIONAL_KINETIC, | |
| 73 | LONG_RANGE_POTENTIAL, | |
| 74 | VANDERWAALS_POTENTIAL, | |
| 75 | < | ELECTROSTATIC_POTENTIAL, |
| 75 | > | ELECTROSTATIC_POTENTIAL, |
| 76 | METALLIC_POTENTIAL, | |
| 77 | HYDROGENBONDING_POTENTIAL, | |
| 78 | + | RECIPROCAL_POTENTIAL, |
| 79 | SHORT_RANGE_POTENTIAL, | |
| 80 | BOND_POTENTIAL, | |
| 81 | BEND_POTENTIAL, | |
| # | Line 92 | Line 85 | namespace OpenMD { | |
| 85 | RESTRAINT_POTENTIAL, | |
| 86 | PRESSURE_TENSOR, | |
| 87 | SYSTEM_DIPOLE, | |
| 88 | + | SYSTEM_QUADRUPOLE, |
| 89 | TAGGED_PAIR_DISTANCE, | |
| 90 | SHADOWH, | |
| 91 | HELFANDMOMENT, | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |