Searched refs:econq (Results 1 – 8 of 8) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
| H A D | shake.cpp | 454 ConstraintVariable econq) in vec_shakef() argument
502 switch (econq) in vec_shakef()
552 if ((econq == ConstraintVariable::Positions) && !v.empty()) in vec_shakef()
609 ConstraintVariable econq) in check_cons() argument
626 switch (econq) in check_cons()
671 ConstraintVariable econq) in bshakef() argument
695 vir_r_m_dr, econq); in bshakef()
714 if (econq == ConstraintVariable::Positions) in bshakef()
778 ConstraintVariable econq) in constrain_shake() argument
785 switch (econq) in constrain_shake()
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| H A D | constr.cpp | 134 ConstraintVariable econq);
356 ConstraintVariable econq) in apply() argument
360 computeVirial, constraintsVirial, econq); in apply()
377 ConstraintVariable econq) in apply() argument
465 econq == ConstraintVariable::Positions); in apply()
499 constraintsVirial, maxwarn < INT_MAX, econq); in apply()
516 switch (econq) in apply()
602 if (econq == ConstraintVariable::Positions) in apply()
645 switch (econq) in apply()
673 if (econq == ConstraintVariable::Positions) in apply()
[all …]
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| H A D | lincs.h | 122 ConstraintVariable econq,
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| H A D | shake.h | 128 ConstraintVariable econq); /* which type of constraint is occurring */
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| H A D | settle.h | 192 ConstraintVariable econq,
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| H A D | constr.h | 192 ConstraintVariable econq);
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| H A D | lincs.cpp | 578 ConstraintVariable econq, in do_lincsp() argument
593 if (econq != ConstraintVariable::Force) in do_lincsp()
688 if (econq == ConstraintVariable::Deriv_FlexCon) in do_lincsp()
711 …lincs_update_atoms(lincsd, th, 1.0, sol, r, (econq != ConstraintVariable::Force) ? invmass : nullp… in do_lincsp()
2278 ConstraintVariable econq, in constrain_lincs() argument
2304 if (econq == ConstraintVariable::Positions) in constrain_lincs()
2456 do_lincsp(xPadded, xprimePadded, min_proj, pbc, lincsd, th, invmass, econq, in constrain_lincs()
2474 if (econq == ConstraintVariable::Positions) in constrain_lincs()
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| H A D | settle.cpp | 261 ConstraintVariable econq, in settle_proj() argument
284 if (econq == ConstraintVariable::Force) in settle_proj()
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