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Searched refs:constrain_shake (Results 1 – 4 of 4) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dshake.h111 bool constrain_shake(FILE* log, /* Log file */
H A Dshake.cpp761 bool constrain_shake(FILE* log, in constrain_shake() function
H A Dconstr.cpp496 bOK = constrain_shake(log, shaked.get(), inverseMasses_, *idef, ir, x.unpaddedArrayRef(), in apply()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/
H A Dconstrtestrunners.cpp87 bool success = constrain_shake( in applyConstraints()