Searched defs:invmass (Results 1 – 9 of 9) sorted by relevance
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
H A D | shake.cpp | 280 const real invmass[], in cshake() 369 const real invmass[], in crattle() 438 const real invmass[], in vec_shakef() 608 const real invmass[], in check_cons() 657 const real invmass[], in bshakef() 763 const real invmass[], in constrain_shake()
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H A D | lincs.cpp | 352 const real* invmass, in lincs_update_atoms_noind() 401 const real* invmass, in lincs_update_atoms_ind() 450 const real* invmass, in lincs_update_atoms() 577 const real* invmass, in do_lincsp() 956 const real* invmass, in do_lincs() 1216 static void set_lincs_matrix_task(Lincs* li, Task* li_task, const real* invmass, int* ncc_triangle,… in set_lincs_matrix_task() 1304 static void set_lincs_matrix(Lincs* li, const real* invmass, real lambda) in set_lincs_matrix() 1854 const real* invmass, in set_lincs() 2263 const real* invmass, in constrain_lincs()
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H A D | update.cpp | 818 const real invmass[], in do_update_vv_vel() 1045 const real invmass[], in doSDUpdateGeneral() 1150 const real invmass[], in do_update_sd() 1184 const real invmass[], in do_update_bd()
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H A D | lincs_gpu.cu | 732 void LincsGpu::set(const InteractionDefinitions& idef, const int numAtoms, const real* invmass) in set()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EMT_Asap__MD_128315414717_004/ |
H A D | EMTParameterProvider.h | 45 double e0, seq, neq, V0, eta2, kappa, lambda, mass, invmass; member
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
H A D | mdatom.h | 88 real* invmass; member
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/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
H A D | dtrplugin.hxx | 204 std::vector<float> invmass; member
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/dports/science/lammps/lammps-stable_29Sep2021/src/RIGID/ |
H A D | fix_shake.cpp | 1625 double invmass,dtfmsq; in unconstrained_update_respa() local
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/pulling/ |
H A D | pull_rotation.cpp | 183 real invmass; member
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