/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | particleToInsert.cpp | 70 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 D | particleToInsert_multisphere.cpp | 62 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 D | particleToInsertSuperquadric.cpp | 81 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 D | test_points.py | 26 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 D | civector_base.h | 67 …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 D | determinants.h | 76 …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 D | determinants.cc | 58 for (int nparticles = 0; nparticles <= max_particles_; ++nparticles) { local 59 const int nele3 = nparticles;
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | multipole_types.F | 76 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 D | multipole_types.F | 76 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 D | demo.py | 34 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 D | H5Part.c | 346 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 D | test_multi_single.cpp | 103 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 D | Herbst_Schorfheide_sampler.m | 68 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 D | ewalds_multipole.F | 1365 …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 D | negf_vectors.F | 51 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 D | ewalds_multipole.F | 1368 …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 D | negf_vectors.F | 51 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 D | local_state_space_iteration_k.cc | 121 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 D | young.F90 | 242 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 D | MCPL_input.comp | 45 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 D | EnergyDensityEstimator.cpp | 70 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 D | cistring.h | 184 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 D | local_state_space_iteration_k_test.mod | 28 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 D | kpts_helper.py | 154 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 D | SISConeSphericalPlugin.hh | 181 SISConeSphericalExtras(int nparticles) in SISConeSphericalExtras() argument 182 : SISConeBaseExtras(nparticles){} in SISConeSphericalExtras()
|