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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/
H A Ddielec.f9041 epsilon0(:,:) = 0.d0
110 epsilon0(ipol,jpol) = epsilon0(ipol,jpol) + 4.0d0*w*work(ibnd,ipol)
117 CALL mp_sum( epsilon0, intra_pool_comm )
126 epsilon0(ipol,ipol) = epsilon0(ipol,ipol) + 1.0d0
H A Dphcg.f90194 epsilon0(kpol,jpol)*coeff/deltatau * &
292 READ(iunres,*,END=1,err=1) epsilon0
296 CALL mp_bcast(epsilon0,ionode_id,world_comm)
318 WRITE(iunres,*) epsilon0
330 /(epsilon0(i,j)+2.0_dp)
332 chi(i,j) = epsilon0(i,j)*omega/fpi
458 chi(i,j) = (epsilon0(i,j)-1.0_dp)*3.0_dp*omega/fpi &
459 /(epsilon0(i,j)+2.0_dp)
461 chi(i,j) = epsilon0(i,j)*omega/fpi
467 WRITE(stdout,'(3f10.6,5x,3e14.6)') ( (epsilon0(i,j), j=1,3), &
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H A Dcgcom.f9055 epsilon0(3,3) variable
/dports/biology/protomol/protomol/applications/iSGProtomol-app/forces/
H A DiSGLennardJonesTableForce.h58 Real epsilonA, epsilonB, epsilon0, epsilon1; in operator() local
278 epsilon0 = B0 / (4.0 * sig60);} in operator()
281 epsilon0 = 0.0;} in operator()
291 epsilonA = (myStage - Lambda) * epsilon0; in operator()
316 deltaMu = 4.0 * (epsilon1 * (Vr12B - Vr6B) - epsilon0 * (Vr12A - Vr6A)) in operator()
318 epsilon0 * Vr12A * (2.0 * Vr6A - 1.0)); in operator()
369 epsilon0 = B0 / (4.0 * sig60);} in operator()
372 epsilon0 = 0.0;} in operator()
382 epsilonA = (myStage - Lambda) * epsilon0; in operator()
413 deltaMu = 4.0 * (epsilon1 * (Vr12B - Vr6B) - epsilon0 * (Vr12A - Vr6A)) in operator()
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/dports/math/freefem++/FreeFem-sources-4.6/plugin/seq/
H A DMetricKuate.cpp64 R epsilon0 = 1e-5, precision = 1e-15, delta = 1e-10; in metrique() local
159 if (r0 <= epsilon0) { in metrique()
160 epsilon0 = r0 * epsilon0; in metrique()
163 B = A = 1. / ((r0 - epsilon0) * (r0 - epsilon0)); in metrique()
164 R epsilon0min = epsilon0; in metrique()
170 epsilon0 = Tabepsilon[ee]; in metrique()
171 if (r0 <= epsilon0) { in metrique()
172 epsilon0 = r0 * epsilon0; in metrique()
175 assert(r0 > epsilon0); in metrique()
176 R0 = r0 / (r0 - epsilon0); in metrique()
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/dports/science/py-ase/ase-3.22.0/ase/test/forcefields/
H A Dtest_qmmm.py7 from ase.calculators.tip3p import TIP3P, epsilon0, sigma0, rOH, angleHOH
25 i = LJInteractions({('O', 'O'): (epsilon0, sigma0)})
29 epsilon_mm = np.array([0, 0, epsilon0])
31 epsilon_qm = np.array([0, 0, epsilon0])
H A Dtest_rattle.py3 from ase.calculators.tip3p import TIP3P, epsilon0, sigma0, rOH, angleHOH
13 i = LJInteractions({('O', 'O'): (epsilon0, sigma0)})
H A Dtest_combine_mm2.py6 from ase.calculators.tip3p import TIP3P, epsilon0, sigma0
49 eps = np.array([epsilon0, 0, 0])
H A Dtest_combine_mm.py16 from ase.calculators.tip3p import epsilon0 as eps3
18 from ase.calculators.tip4p import epsilon0 as eps4
/dports/science/py-scipy/scipy-1.7.1/scipy/constants/
H A Dcodata.py1711 epsilon0 = value('vacuum electric permittivity') variable
1722 sqrt(mu0 / epsilon0), 'ohm',
1723 sqrt(mu0 / epsilon0) * 0.5 * (
1725 + physical_constants['vacuum electric permittivity'][2] / epsilon0))
/dports/math/geogram/geogram-1.7.7/src/lib/exploragram/optimal_transport/
H A Doptimal_transport.cpp213 double epsilon0 = 0.0; in optimize_full_Newton() local
244 if(epsilon0 == 0.0) { in optimize_full_Newton()
245 epsilon0 = measure_of_smallest_cell_; in optimize_full_Newton()
247 epsilon0 = std::min(epsilon0, nu(i)); in optimize_full_Newton()
250 epsilon0 = std::min(epsilon0, air_fraction_ * total_mass_); in optimize_full_Newton()
252 epsilon0 = 0.5 * epsilon0; in optimize_full_Newton()
306 << "(>=?)" << epsilon0 << std::endl; in optimize_full_Newton()
314 (measure_of_smallest_cell_ >= epsilon0) && ( in optimize_full_Newton()
/dports/science/dakota/dakota-6.13.0-release-public.src-UI/packages/external/trilinos/packages/teuchos/parser/src/
H A DTeuchos_FiniteAutomaton.cpp161 int epsilon0 = get_epsilon0(out); in unite() local
163 add_transition(out, start_state, epsilon0, a_offset); in unite()
175 int epsilon0 = get_epsilon0(out); in concat() local
178 add_transition(out, i, epsilon0, b_offset); in concat()
196 int epsilon0 = get_epsilon0(out); in plus() local
200 add_transition(out, i, epsilon0, new_accept_state); in plus()
217 int epsilon0 = get_epsilon0(out); in maybe() local
225 add_transition(out, last, epsilon0, i + offset); in maybe()
230 add_transition(out, last, epsilon0, new_accept_state); in maybe()
261 int epsilon0 = get_epsilon0(fa); in get_epsilon_closure() local
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/dports/science/py-ase/ase-3.22.0/ase/test/calculator/
H A Dtest_orca_qmmm.py2 from ase.calculators.tip4p import TIP4P, epsilon0, sigma0
12 lj = LJInteractions({('O', 'O'): (epsilon0, sigma0)})
/dports/science/InsightToolkit/ITK-5.0.1/Modules/Core/Common/test/
H A DitkSinRegularizedHeavisideStepFunctionTest1.cxx34 constexpr double epsilon0 = 1.0; in itkSinRegularizedHeavisideStepFunctionTest1() local
37 TEST_SET_GET_VALUE( epsilon0, functionBase0->GetEpsilon() ); in itkSinRegularizedHeavisideStepFunctionTest1()
H A DitkAtanRegularizedHeavisideStepFunctionTest1.cxx34 constexpr double epsilon0 = 1.0; in itkAtanRegularizedHeavisideStepFunctionTest1() local
37 TEST_SET_GET_VALUE( epsilon0, functionBase0->GetEpsilon() ); in itkAtanRegularizedHeavisideStepFunctionTest1()
/dports/science/thermofun/thermofun-0.3.8/ThermoFun/Substances/Solvent/
H A DWaterElectroFernandez1997.cpp25 auto epsilon0 = 8.854187817e-12; in epsilonF() local
37 auto A = Na*pow(mu,2)*rho*g/M/epsilon0/k/T; in epsilonF()
38 auto B = Na*alfa*rho/3/M/epsilon0; in epsilonF()
/dports/science/clhep/2.4.1.0/CLHEP/Units/Units/
H A DPhysicalConstants.h91 static constexpr double epsilon0 = 1./(c_squared*mu0); variable
96 static constexpr double elm_coupling = e_squared/(4*pi*epsilon0);
H A DGlobalPhysicalConstants.h23 using CLHEP::epsilon0;
/dports/science/colt/colt/src/cern/clhep/
H A DPhysicalConstants.java91 public static final double epsilon0 = 1./(c_squared*mu0); field in PhysicalConstants
96 public static final double elm_coupling = e_squared/(4*pi*epsilon0);
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/
H A Dwatermodel.py3 from ase.calculators.tip3p import qH, sigma0, epsilon0
10 A = 4 * epsilon0 * sigma0**12
11 B = -4 * epsilon0 * sigma0**6
/dports/science/py-ase/ase-3.22.0/ase/test/calculator/turbomole/
H A Dtest_turbomole_qmmm.py7 from ase.calculators.tip3p import TIP3P, epsilon0, sigma0, rOH, angleHOH
22 interaction = LJInteractions({('O', 'O'): (epsilon0, sigma0)})
/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A Dtip3p.py10 epsilon0 = 0.1521 * units.kcal / units.mol variable
82 e = 4 * epsilon0 * (c12 - c6)
84 F = (24 * epsilon0 * (2 * c12 - c6) / d2 * t -
/dports/science/gabedit/GabeditSrc251_300720/src/Utils/
H A DConstants.h19 #define epsilon0 (8.854187817e-12) macro
/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Dfix_polarize_bem_gmres.cpp309 double epsilon0 = force->dielectric; in compute_induced_charges() local
359 buffer[idx] = (1 - em[i]) * sigma_f - epsilon0 * ed[i] * dot / (4 * MY_PI); in compute_induced_charges()
587 double epsilon0 = force->dielectric; in apply_operator() local
633 buffer[idx] = em[i] * w[idx] + epsilon0 * ed[i] * dot / (4 * MY_PI); in apply_operator()
657 double epsilon0 = force->dielectric; in update_residual() local
706 buffer[idx] = (1 - em[i]) * sigma_f - em[i] * w[idx] - epsilon0 * ed[i] * dot / (4 * MY_PI); in update_residual()
H A Dfix_polarize_bem_icc.cpp219 double epsilon0 = force->dielectric; in compute_induced_charges() local
254 q_bound = (1.0 / em[i] - 1) * q_free - epsilon0 * (ed[i] / (2 * em[i])) * dot * area[i]; in compute_induced_charges()
291 omega * ((1.0 / em[i] - 1) * q_free - epsilon0 * (ed[i] / em[i]) * dot * area[i]); in compute_induced_charges()

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