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Searched refs:nparticles (Results 1 – 25 of 71) sorted by relevance

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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A DparticleToInsert.cpp70 nparticles = ns; in ParticleToInsert()
73 radius_ins = new double[nparticles]; in ParticleToInsert()
111 for(int i = 0; i < nparticles; i++) in insert()
258 if(nparticles > 1) in check_near_set_x_v_omega()
289 for(int j = 0; j < nparticles; j++) in check_near_set_x_v_omega_ms()
304 for(int j = 0; j < nparticles; j++) in check_near_set_x_v_omega_ms()
314 for(int j = 0; j < nparticles; j++) in check_near_set_x_v_omega_ms()
319 return nparticles; in check_near_set_x_v_omega_ms()
334 for(int j = 0; j < nparticles; j++) in set_x_v_omega()
338 if(1 == nparticles) in set_x_v_omega()
[all …]
H A DparticleToInsert_multisphere.cpp62 memory->create(displace,nparticles,3,"displace"); in ParticleToInsertMultisphere()
65 for(int i = 0; i < nparticles; i++) in ParticleToInsertMultisphere()
97 for(int j = 0; j < nparticles; j++) in set_x_v_omega()
103 return nparticles; in set_x_v_omega()
124 for(int j = 0; j < nparticles; j++) in check_near_set_x_v_omega()
131 for(int j = 0; j < nparticles; j++) in check_near_set_x_v_omega()
165 for(int j = 0; j < nparticles; j++) in check_near_set_x_v_omega()
175 return nparticles; in check_near_set_x_v_omega()
190 for(int i = 0; i < nparticles; i++) in insert()
256 if(nparticles==1)return; in random_rotate()
[all …]
H A DparticleToInsertSuperquadric.cpp81 for(int i = 0; i < nparticles; i++) { in insert()
123 if(nparticles > 1) in check_near_set_x_v_omega()
153 return nparticles; in set_x_v_omega()
162 for(int i = 0; i < nparticles; i++) { in scale_pti()
/dports/math/py-yt/yt-4.0.1/yt/data_objects/tests/
H A Dtest_points.py26 nparticles = 3
27 ds = fake_random_ds(16, particles=nparticles)
53 assert_equal(ppos_den.shape, (nparticles,))
54 assert_equal(ppos_vel.shape, (nparticles,))
65 nparticles = 100
67 ppos = ppos[np.random.randint(low=0, high=len(ppos), size=nparticles)]
75 assert_equal(ppos_den.shape, (nparticles,))
76 assert_equal(ppos_vel.shape, (nparticles,))
/dports/science/bagel/bagel-1.2.2/src/ci/ras/
H A Dcivector_base.h67 …lock( det_->nholes(astring), det_->nholes(bstring), det_->nparticles(astring), det_->nparticles(bs… in block()
70 return block( alpha->nholes(), beta->nholes(), alpha->nparticles(), beta->nparticles() ); in block()
80 …lock( det_->nholes(astring), det_->nholes(bstring), det_->nparticles(astring), det_->nparticles(bs… in block()
83 return block( alpha->nholes(), beta->nholes(), alpha->nparticles(), beta->nparticles() ); in block()
88 …td::bitset<nbit__>& bit) { return allowed_blocks<spin>(det_->nholes(bit), det_->nparticles(bit)); } in allowed_blocks()
106 …tset<nbit__>& bit) const { return allowed_blocks<spin>(det_->nholes(bit), det_->nparticles(bit)); } in allowed_blocks()
108 …nst RASString>& space) const { return allowed_blocks<spin>(space->nholes(), space->nparticles()); } in allowed_blocks()
H A Ddeterminants.h76 …int nparticles(const std::bitset<nbit__> bit) const { return (bit & (~(~std::bitset<nbit__>(0ull) … in nparticles() function
78 …t std::bitset<nbit__> bit) const { return nholes(bit) <= max_holes_ && nparticles(bit) <= max_part… in allowed()
83 …{ return (nholes(abit) + nholes(bbit)) <= max_holes_ && (nparticles(abit) + nparticles(bbit)) <= m… in allowed()
85 … (beta->nholes() + alpha->nholes()) <= max_holes_ && (beta->nparticles() + alpha->nparticles()) <=… in allowed()
90 for (int jp = 0; jp + sp->nparticles() <= max_particles_; ++jp) { in allowed_spaces()
144 …st int nholes, const int nparticles) const { return (spin == Alpha ? alphaspaces_ : betaspaces_)->… in space() argument
H A Ddeterminants.cc58 for (int nparticles = 0; nparticles <= max_particles_; ++nparticles) { local
59 const int nele3 = nparticles;
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmultipole_types.F76 INTEGER :: i, ind2, iparticle, j, n_rep, nparticles local
104 nparticles = SIZE(particle_set)
106 ALLOCATE (multipoles%charges(nparticles))
107 ALLOCATE (multipoles%radii(nparticles))
109 DO iparticle = 1, nparticles
118 ALLOCATE (multipoles%dipoles(3, nparticles))
124 CPASSERT(n_rep == nparticles)
134 ALLOCATE (multipoles%quadrupoles(3, 3, nparticles))
140 CPASSERT(n_rep == nparticles)
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dmultipole_types.F76 INTEGER :: i, ind2, iparticle, j, n_rep, nparticles local
104 nparticles = SIZE(particle_set)
106 ALLOCATE (multipoles%charges(nparticles))
107 ALLOCATE (multipoles%radii(nparticles))
109 DO iparticle = 1, nparticles
118 ALLOCATE (multipoles%dipoles(3, nparticles))
124 CPASSERT(n_rep == nparticles)
134 ALLOCATE (multipoles%quadrupoles(3, 3, nparticles))
140 CPASSERT(n_rep == nparticles)
/dports/science/sparta/sparta-20Oct2021/python/examples/
H A Ddemo.py34 nparticles = spa.extract_global("nplocal",0) variable
37 print "Nparticles, dt, fnum =",nparticles,dt,fnum
47 print "X coord from particle-style variable =",xc[0],xc[nparticles-1]
48 print "Vy component coord from particle-style variable =",vy[0],vy[nparticles-1]
/dports/math/vtk9/VTK-9.1.0/ThirdParty/h5part/vtkh5part/src/
H A DH5Part.c346 f->nparticles = 0; in _H5Part_open_file()
717 if ( nparticles < 0 ) in _set_num_particles()
719 if ( nparticles <= 0 ) in _set_num_particles()
742 if ( f->nparticles == nparticles && stride == 1 ) { in _set_num_particles()
758 f->nparticles = (hsize_t) nparticles; in _set_num_particles()
786 count = f->nparticles; in _set_num_particles()
843 count = nparticles; in _set_num_particles()
2620 nparticles = 0; in _H5Part_get_num_particles()
2626 nparticles = f->nparticles; in _H5Part_get_num_particles()
2633 return nparticles; in _H5Part_get_num_particles()
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/src/einspline/
H A Dtest_multi_single.cpp103 int nparticles =num_splines; in main() local
129 nparticles=atoi(optarg); in main()
143 float pos[3*nparticles], sphere[36]; in main()
154 randomize(pos,nparticles); in main()
158 for(int iat=0,i=0;iat<nparticles; ++iat,i+=3) in main()
166 for(int iat=0,i=0;iat<nparticles; ++iat,i+=3) in main()
/dports/science/dynare/dynare-4.6.4/matlab/particles/src/
H A DHerbst_Schorfheide_sampler.m68 weights = ones(options_.HSsmc.nparticles,1)/options_.HSsmc.nparticles ;
82 if (ESSsim(i) < options_.HSsmc.nparticles/2)
87 weights = ones(options_.HSsmc.nparticles,1)/options_.HSsmc.nparticles ;
112 indx_resmpl = smc_resampling(weights,rand(1,1),options_.HSsmc.nparticles);
118 %mat_var_cov = (mat_var_cov*mat_var_cov')/(options_.HSsmc.nparticles-1) ;
124 lb95_xparam(i) = temp(0.025*options_.HSsmc.nparticles) ;
125 ub95_xparam(i) = temp(0.975*options_.HSsmc.nparticles) ;
201 for j=1:options_.HSsmc.nparticles
219 acpt = acpt/options_.HSsmc.nparticles;
224 for j=1:options_.HSsmc.nparticles
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dewalds_multipole.F1365 …CALL create_multi_type(multipoles, nparticles, nparticles/2 + 1, nparticles, "CHARGE", echarge=1.0…
1397 …CALL create_multi_type(multipoles, nparticles, nparticles/2 + 1, nparticles, "DIPOLE", echarge=0.5…
1430 …CALL create_multi_type(multipoles, nparticles, nparticles/2 + 1, nparticles, "DIPOLE", echarge=200…
1463 …CALL create_multi_type(multipoles, nparticles, nparticles/2 + 1, nparticles, "QUADRUPOLE", echarge…
1497 …CALL create_multi_type(multipoles, nparticles, nparticles/2 + 1, nparticles, "QUADRUPOLE", echarge…
1530 …CALL create_multi_type(multipoles, nparticles, nparticles/2 + 1, nparticles, "QUADRUPOLE", echarge…
1971 DO i = 1, nparticles
1998 DO i = 1, nparticles
2039 DO i = 1, nparticles
2155 DO i = 1, nparticles
[all …]
H A Dnegf_vectors.F51 natoms_screening, nparticles local
61 nparticles = SIZE(particle_set)
65 CPASSERT(nparticles > 0)
98 DO iatom = 1, nparticles
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dewalds_multipole.F1368 …CALL create_multi_type(multipoles, nparticles, nparticles/2+1, nparticles, "CHARGE", echarge=1.0_d…
1400 …CALL create_multi_type(multipoles, nparticles, nparticles/2+1, nparticles, "DIPOLE", echarge=0.5_d…
1433 …CALL create_multi_type(multipoles, nparticles, nparticles/2+1, nparticles, "DIPOLE", echarge=20000…
1466 …CALL create_multi_type(multipoles, nparticles, nparticles/2+1, nparticles, "QUADRUPOLE", echarge=1…
1500 …CALL create_multi_type(multipoles, nparticles, nparticles/2+1, nparticles, "QUADRUPOLE", echarge=1…
1533 …CALL create_multi_type(multipoles, nparticles, nparticles/2+1, nparticles, "QUADRUPOLE", echarge=1…
1975 DO i = 1, nparticles
2002 DO i = 1, nparticles
2043 DO i = 1, nparticles
2159 DO i = 1, nparticles
[all …]
H A Dnegf_vectors.F51 natoms_screening, nparticles local
61 nparticles = SIZE(particle_set)
65 CPASSERT(nparticles > 0)
98 DO iatom = 1, nparticles
/dports/science/dynare/dynare-4.6.4/mex/sources/local_state_space_iterations/
H A Dlocal_state_space_iteration_k.cc121 size_t nparticles = mxGetN(yhat_mx); in mexFunction() local
122 if (mxGetN(epsilon_mx) != nparticles) in mexFunction()
177 plhs[0] = mxCreateDoubleMatrix(restrict_var_list.length(), nparticles, mxREAL); in mexFunction()
184 int part_by_thread = nparticles / num_threads + (nparticles % num_threads > 0); in mexFunction()
185 for (size_t i = 0; i < nparticles; i += part_by_thread) in mexFunction()
187 … std::make_pair(i, std::min(i+part_by_thread, nparticles)), in mexFunction()
/dports/science/octopus/octopus-10.5/src/math/
H A Dyoung.F90242 subroutine young_write_allspins (iunit, nparticles) argument
243 integer, intent(in) :: iunit, nparticles local
250 do ndown = 0, floor(nparticles * M_HALF)
251 nup = nparticles - ndown
261 subroutine young_ndiagrams (nparticles, ndiagrams) argument
262 integer, intent(in) :: nparticles local
271 do ndown = 0, floor(nparticles * M_HALF)
272 nup = nparticles - ndown
/dports/science/mcstas-comps/mcstas-comps-2.5-src/misc/
H A DMCPL_input.comp45 OUTPUT PARAMETERS (inputfile,nparticles,read_neutrons,used_neutrons)
57 long long nparticles;
79 if ( !(nparticles=mcpl_hdr_nparticles(inputfile)) ) {
81 nparticles=ncount;
84 …tf("Message(%s): MCPL file (%s) contains %ld particles.\n",NAME_CURRENT_COMP,filename,nparticles);
93 …tron count requested is %ld x %i <= %ld",repeat_count,nparticles,repeat_count,repeat_cnt*nparticle…
95 …out, " x %i MPI nodes = %ld neutrons total\n",mpi_node_count,mpi_node_count*repeat_cnt*nparticles);
97 mcset_ncount(mpi_node_count*repeat_cnt*nparticles);
100 mcset_ncount(repeat_cnt*nparticles);
255 … examine the recorded intensities carefully.\n",NAME_CURRENT_COMP,ncount,nparticles,used_neutrons);
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/
H A DEnergyDensityEstimator.cpp70 nparticles = Pdynamic->getTotalNum(); in put()
86 nparticles += Pstatic->getTotalNum(); in put()
91 R.resize(nparticles); in put()
92 EDValues.resize(nparticles, nEDValues); in put()
101 particles_outside.resize(nparticles); in put()
225 os << indent + "nparticles = " << nparticles << std::endl; in write_description()
365 for (int p = 0; p < nparticles; p++) in evaluate()
431 for (int p = 0; p < nparticles; p++) in write_EDValues()
487 oh->addProperty(const_cast<int&>(nparticles), "nparticles"); in registerCollectables()
/dports/science/bagel/bagel-1.2.2/src/ci/ciutil/
H A Dcistring.h184 return nholes(bit) == nholes() && nparticles(bit) == nparticles(); in contains_impl()
188 return nh == nholes() && np == nparticles(); in matches_impl()
191 return matches_impl(o->nholes(), o->nparticles()); in matches_impl()
218 int nparticles(const std::bitset<nbit__>& bit) const { in nparticles() function
236 int nparticles() const { return subspace_[2].first; } in nparticles() function
238 size_t tag() const { return nholes() + (nparticles() << 8); } in tag()
/dports/science/dynare/dynare-4.6.4/tests/particle/
H A Dlocal_state_space_iteration_k_test.mod28 nparticles = 100;
33 yhat = chol(oo_.var(state_idx,state_idx))*randn(M_.npred+M_.nboth, nparticles);
34 epsilon = chol(M_.Sigma_e)*randn(M_.exo_nbr, nparticles);
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/lib/
H A Dkpts_helper.py154 nparticles = (array_shape_len + 1) / 4
155 assert(idx1 < (2 * nparticles - 1) and idx2 < (2 * nparticles - 1) and
160 if (nparticles > 3):
168 orb_idx1 = (2 * nparticles - 1) + idx1
169 orb_idx2 = (2 * nparticles - 1) + idx2
/dports/science/fastjet/fastjet-3.3.4/plugins/SISCone/fastjet/
H A DSISConeSphericalPlugin.hh181 SISConeSphericalExtras(int nparticles) in SISConeSphericalExtras() argument
182 : SISConeBaseExtras(nparticles){} in SISConeSphericalExtras()

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