# | Line 70 | Line 70 | namespace oopse { | |
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70 | TEMPERATURE, | |
71 | PRESSURE, | |
72 | VOLUME, | |
73 | + | HULLVOLUME, |
74 | + | GYRVOLUME, |
75 | CONSERVED_QUANTITY, | |
76 | TRANSLATIONAL_KINETIC, | |
77 | ROTATIONAL_KINETIC, | |
# | Line 80 | Line 82 | namespace oopse { | |
82 | BOND_POTENTIAL, | |
83 | BEND_POTENTIAL, | |
84 | DIHEDRAL_POTENTIAL, | |
85 | < | IMPROPER_POTENTIAL, |
85 | > | INVERSION_POTENTIAL, |
86 | VRAW, | |
87 | VHARM, | |
88 | < | PRESSURE_TENSOR_X, |
89 | < | PRESSURE_TENSOR_Y, |
90 | < | PRESSURE_TENSOR_Z, |
88 | > | PRESSURE_TENSOR_XX, |
89 | > | PRESSURE_TENSOR_XY, |
90 | > | PRESSURE_TENSOR_XZ, |
91 | > | PRESSURE_TENSOR_YX, |
92 | > | PRESSURE_TENSOR_YY, |
93 | > | PRESSURE_TENSOR_YZ, |
94 | > | PRESSURE_TENSOR_ZX, |
95 | > | PRESSURE_TENSOR_ZY, |
96 | > | PRESSURE_TENSOR_ZZ, |
97 | BOX_DIPOLE_X, | |
98 | BOX_DIPOLE_Y, | |
99 | BOX_DIPOLE_Z, | |
100 | + | TAGGED_PAIR_DISTANCE, |
101 | + | RNEMD_EXCHANGE_TOTAL, |
102 | ENDINDEX //internal use | |
103 | }; | |
104 |
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