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Searched refs:massfrac (Results 1 – 14 of 14) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-FIX/
H A Dfix_smd.cpp254 double massfrac; in smd_tether() local
265 f[i][0] -= fx*massfrac; in smd_tether()
266 f[i][1] -= fy*massfrac; in smd_tether()
267 f[i][2] -= fz*massfrac; in smd_tether()
286 f[i][0] -= fx*massfrac; in smd_tether()
287 f[i][1] -= fy*massfrac; in smd_tether()
288 f[i][2] -= fz*massfrac; in smd_tether()
389 double massfrac; in smd_couple() local
394 f[i][0] += fx*massfrac; in smd_couple()
395 f[i][1] += fy*massfrac; in smd_couple()
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H A Dfix_spring_rg.cpp126 double massfrac; in post_force() local
137 if (rmass) massfrac = rmass[i]/masstotal; in post_force()
138 else massfrac = mass[type[i]]/masstotal; in post_force()
140 f[i][0] -= term1*dx*massfrac; in post_force()
141 f[i][1] -= term1*dy*massfrac; in post_force()
142 f[i][2] -= term1*dz*massfrac; in post_force()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dfix_spring_rg.cpp149 double massfrac; in post_force() local
159 massfrac = mass[type[i]]/masstotal; in post_force()
160 f[i][0] -= term1*dx*massfrac; in post_force()
161 f[i][1] -= term1*dy*massfrac; in post_force()
162 f[i][2] -= term1*dz*massfrac; in post_force()
/dports/science/antioch/antioch-0.4.0-156-g90ffa43/test/
H A Dkinetics_regression_vec.C164 PairScalars massfrac = example; in vectester() local
174 massfrac[2*tuple ] = 0.2; in vectester()
175 massfrac[2*tuple+1] = 0.2; in vectester()
179 const std::vector<PairScalars> Y(n_species,massfrac); in vectester()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dshell_potential_types.F31 massfrac, & component
H A Datomic_kind_types.F291 IF (.NOT. shell_adiabatic) shell_adiabatic = (shell%massfrac /= 0.0_dp)
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dshell_potential_types.F31 massfrac, & component
H A Datomic_kind_types.F291 IF (.NOT. shell_adiabatic) shell_adiabatic = (shell%massfrac /= 0.0_dp)
/dports/science/PETSc/petsc-3.14.1/src/ts/tutorials/
H A Dextchemfield.c393 struct {const char *name; PetscReal massfrac;} initial[] = { in FormInitialSolution() member
414 …cPrintf(PETSC_COMM_SELF,"Species %d: %s %g\n",j,initial[j].name,initial[j].massfrac);CHKERRQ(ierr); in FormInitialSolution()
415 x[i][1+ispec] = initial[j].massfrac; in FormInitialSolution()
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_fields_all.F2409 shell%massfrac = inp_info%shell_list(j)%shell%massfrac
2410 IF (shell%massfrac < EPSILON(1.0_dp)) null_massfrac = .TRUE.
2415 shell%mass_shell = shell%massfrac*atmmass
H A Dforce_fields_input.F1568 shell_list(start + i_rep)%shell%massfrac = mfrac
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_fields_all.F2409 shell%massfrac = inp_info%shell_list(j)%shell%massfrac
2410 IF (shell%massfrac < EPSILON(1.0_dp)) null_massfrac = .TRUE.
2415 shell%mass_shell = shell%massfrac*atmmass
H A Dforce_fields_input.F1568 shell_list(start + i_rep)%shell%massfrac = mfrac
/dports/science/PETSc/petsc-3.14.1/
H A DTAGS19031 struct {const char *name; PetscReal massfrac;393,16489