Home
last modified time | relevance | path

Searched defs:invmass (Results 1 – 9 of 9) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dshake.cpp280 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()
H A Dlincs.cpp352 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()
H A Dupdate.cpp818 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()
H A Dlincs_gpu.cu732 void LincsGpu::set(const InteractionDefinitions& idef, const int numAtoms, const real* invmass) in set()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EMT_Asap__MD_128315414717_004/
H A DEMTParameterProvider.h45 double e0, seq, neq, V0, eta2, kappa, lambda, mass, invmass; member
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dmdatom.h88 real* invmass; member
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Ddtrplugin.hxx204 std::vector<float> invmass; member
/dports/science/lammps/lammps-stable_29Sep2021/src/RIGID/
H A Dfix_shake.cpp1625 double invmass,dtfmsq; in unconstrained_update_respa() local
/dports/science/gromacs/gromacs-2021.4/src/gromacs/pulling/
H A Dpull_rotation.cpp183 real invmass; member