Gromacs
2021.3
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Output from bonded kernels.
Public Attributes | |
real | energy = 0 |
Energy of this interaction. | |
real | dvdlambda = 0 |
Derivative with respect to lambda. | |
rvec | fshift [((2 *1+1)*(2 *1+1)*(2 *2+1))] = { { 0 } } |
Shift vectors. | |
rvec4 | f [c_numAtoms] = { { 0 } } |
Forces. | |