/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/properties/ |
H A D | Properties_point.cpp | 23 kinetic.Resize(nwf); in setSize() 30 kinetic=0; in setSize() 41 int nwf=kinetic.GetDim(0); in mpiSend() 49 MPI_Send(kinetic.v, kinetic.GetDim(0), MPI_DOUBLE, in mpiSend() 96 MPI_Recv(kinetic.v, kinetic.GetDim(0), MPI_DOUBLE, in mpiReceive() 165 int nwf=kinetic.GetDim(0); in write() 168 write_array(os, kinetic); in write() 185 int nwf=kinetic.GetDim(0); in weighted_add() 188 kinetic(w)+=pt.weight(w)*pt.kinetic(w); in weighted_add() 206 int nwf=kinetic.GetDim(0); in unweighted_add() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | atc_temperature_definition.rst | 11 fix_modify <AtC fixID> temperature_definition <kinetic|total> 15 * *kinetic* or *total* = (undocumented) 22 fix_modify AtC temperature_definition kinetic 28 finite element temperature. The kinetic option is based only on the 29 kinetic energy of the atoms while the total option uses the total energy 30 (kinetic + potential) of an atom. 48 *kinetic*
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H A D | compute_ke_atom_eff.rst | 27 (nuclei and electrons) and radial kinetic energy (electron only) in a 31 The kinetic energy for each nucleus is computed as :math:`\frac{1}{2} m 33 kinetic energy for each electron is computed as :math:`\frac{1}{2} (m_e 39 compute and the kinetic energy calculated by the *ke* or *etotal* 41 :doc:`thermo_style <thermo_style>` command. For this compute, kinetic 42 energy is "translational" plus electronic "radial" kinetic energy, 44 *ke* keyword infers kinetic energy from the temperature of the system 60 The value of the kinetic energy will be 0.0 for atoms (nuclei or
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H A D | compute_ke.rst | 26 Define a computation that calculates the translational kinetic energy 29 The kinetic energy of each particle is computed as :math:`\frac{1}{2} m 33 compute and the kinetic energy calculated by the *ke* or *etotal* 35 :doc:`thermo_style <thermo_style>` command. For this compute, kinetic 36 energy is "translational" kinetic energy, calculated by the simple 38 kinetic energy from the temperature of the system with
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H A D | atc_hardy_gradients.rst | 23 - temperature : temperature derived from the relative atomic kinetic energy 24 - kinetic_temperature : temperature derived from the full kinetic energy 30 - kinetic_energy : kinetic energy per unit volume 31 - thermal_energy : thermal energy (kinetic energy - continuum kinetic energy) per unit volume 33 - energy : total energy (potential + kinetic) per unit volume
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H A D | atc_hardy_rates.rst | 23 - temperature : temperature derived from the relative atomic kinetic energy 24 - kinetic_temperature : temperature derived from the full kinetic energy 30 - kinetic_energy : kinetic energy per unit volume 31 - thermal_energy : thermal energy (kinetic energy - continuum kinetic energy) per unit volume 33 - energy : total energy (potential + kinetic) per unit volume
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H A D | compute_ke_eff.rst | 26 Define a computation that calculates the kinetic energy of motion of a 30 The kinetic energy for each nucleus is computed as :math:`\frac{1}{2} m 31 v^2` and the kinetic energy for each electron is computed as 38 compute and the kinetic energy calculated by the *ke* or *etotal* 40 :doc:`thermo_style <thermo_style>` command. For this compute, kinetic 41 energy is "translational" and "radial" (only for electrons) kinetic 43 output, the *ke* keyword infers kinetic energy from the temperature of
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H A D | atc_hardy_fields.rst | 25 - temperature : temperature derived from the relative atomic kinetic energy 26 - kinetic_temperature : temperature derived from the full kinetic energy 32 - kinetic_energy : kinetic energy per unit volume 33 - thermal_energy : thermal energy (kinetic energy - continuum kinetic energy) per unit volume 35 - energy : total energy (potential + kinetic) per unit volume
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | kg_tnadd_mat.F | 401 … force(ikind)%kinetic(1, atom_a) = force(ikind)%kinetic(1, atom_a) + f0*force_a(1) 402 … force(ikind)%kinetic(2, atom_a) = force(ikind)%kinetic(2, atom_a) + f0*force_a(2) 403 … force(ikind)%kinetic(3, atom_a) = force(ikind)%kinetic(3, atom_a) + f0*force_a(3) 404 … force(kkind)%kinetic(1, atom_c) = force(kkind)%kinetic(1, atom_c) - f0*force_a(1) 405 … force(kkind)%kinetic(2, atom_c) = force(kkind)%kinetic(2, atom_c) - f0*force_a(2) 406 … force(kkind)%kinetic(3, atom_c) = force(kkind)%kinetic(3, atom_c) - f0*force_a(3) 408 … force(jkind)%kinetic(1, atom_b) = force(jkind)%kinetic(1, atom_b) + f0*force_b(1) 409 … force(jkind)%kinetic(2, atom_b) = force(jkind)%kinetic(2, atom_b) + f0*force_b(2) 410 … force(jkind)%kinetic(3, atom_b) = force(jkind)%kinetic(3, atom_b) + f0*force_b(3) 411 … force(kkind)%kinetic(1, atom_c) = force(kkind)%kinetic(1, atom_c) - f0*force_b(1) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | kg_tnadd_mat.F | 401 … force(ikind)%kinetic(1, atom_a) = force(ikind)%kinetic(1, atom_a) + f0*force_a(1) 402 … force(ikind)%kinetic(2, atom_a) = force(ikind)%kinetic(2, atom_a) + f0*force_a(2) 403 … force(ikind)%kinetic(3, atom_a) = force(ikind)%kinetic(3, atom_a) + f0*force_a(3) 404 … force(kkind)%kinetic(1, atom_c) = force(kkind)%kinetic(1, atom_c) - f0*force_a(1) 405 … force(kkind)%kinetic(2, atom_c) = force(kkind)%kinetic(2, atom_c) - f0*force_a(2) 406 … force(kkind)%kinetic(3, atom_c) = force(kkind)%kinetic(3, atom_c) - f0*force_a(3) 408 … force(jkind)%kinetic(1, atom_b) = force(jkind)%kinetic(1, atom_b) + f0*force_b(1) 409 … force(jkind)%kinetic(2, atom_b) = force(jkind)%kinetic(2, atom_b) + f0*force_b(2) 410 … force(jkind)%kinetic(3, atom_b) = force(jkind)%kinetic(3, atom_b) + f0*force_b(3) 411 … force(kkind)%kinetic(1, atom_c) = force(kkind)%kinetic(1, atom_c) - f0*force_b(1) [all …]
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/dports/math/py-yt/yt-4.0.1/yt/data_objects/level_sets/ |
H A D | clump_validators.py | 42 kinetic = ( 55 kinetic += ( 60 kinetic += ( 94 m, px, py, pz, truncate, (kinetic / G).in_cgs(), num_threads=num_threads 96 kinetic.in_cgs().units, 99 if truncate and potential >= kinetic: 102 return potential >= kinetic
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/dports/science/bagel/bagel-1.2.2/src/mat1e/rel/ |
H A D | relhcore.cc | 39 Matrix kinetic(2*n, 2*n); in compute_() local 40 kinetic.copy_block(0, 0, n, n, kinetic_); in compute_() 41 kinetic.copy_block(n, n, n, n, kinetic_); in compute_() 57 copy_real_block(1.0, 0, 2*n, 2*n, 2*n, kinetic); in compute_() 58 copy_real_block(1.0,2*n, 0, 2*n, 2*n, kinetic); in compute_() 60 add_real_block(-1.0, 2*n, 2*n, 2*n, 2*n, kinetic); in compute_()
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/dports/science/py-OpenFermion/OpenFermion-1.3.0/src/openfermion/circuits/trotter/ |
H A D | diagonal_coulomb_trotter_error_test.py | 48 kinetic = sum(kinetic_terms, FermionOperator.zero()) 52 self.assertEqual(kinetic, 64 kinetic = sum(kinetic_terms, FermionOperator.zero()) 68 kinetic=False) 79 self.assertEqual(kinetic, true_kinetic) 109 kinetic = sum(kinetic_terms, FermionOperator.zero()) 118 self.assertEqual(kinetic, expected_kinetic) 235 kinetic = sum(kinetic_terms, FermionOperator.zero()) 244 commutator(kinetic, inner_commutator)) 257 kinetic = sum(kinetic_terms, FermionOperator.zero()) [all …]
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/dports/science/bagel/bagel-1.2.2/src/mat1e/giao/ |
H A D | relhcore_london.cc | 37 ZMatrix kinetic(2*n, 2*n); in compute_() local 38 kinetic.copy_block(0, 0, n, n, kinetic_); in compute_() 39 kinetic.copy_block(n, n, n, n, kinetic_); in compute_() 67 copy_block( 0, 2*n, 2*n, 2*n, kinetic); in compute_() 68 copy_block(2*n, 0, 2*n, 2*n, kinetic); in compute_() 70 add_block(-1.0, 2*n, 2*n, 2*n, 2*n, kinetic); in compute_()
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H A D | zkinetic.cc | 49 ComplexKineticBatch kinetic(input, mol->magnetic_field()); in computebatch() local 50 kinetic.compute(); in computebatch() 52 copy_block(offsetb1, offsetb0, dimb1, dimb0, kinetic.data()); in computebatch()
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/dports/graphics/pcl-pointclouds/pcl-pcl-1.12.0/.dev/docker/perception_pcl_ros/ |
H A D | kinetic_rosinstall.yaml | 2 local-name: 'kinetic/perception_pcl' 4 version: 'kinetic-devel' 6 local-name: 'kinetic/pcl_conversions' 10 local-name: 'kinetic/pcl_msgs'
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/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/system/ |
H A D | Ring_system.cpp | 173 Array1 <doublevar> & kinetic) { in calcKinetic() 179 assert(kinetic.GetDim(0) >= nwf); in calcKinetic() 180 kinetic=0; in calcKinetic() 185 kinetic(w)-=0.5*lap.cvals(w,4).real(); in calcKinetic() 186 kinetic(w)+=flux*flux*.5; in calcKinetic() 187 kinetic(w)+=flux*lap.cvals(w,1).imag(); in calcKinetic()
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/dports/cad/calculix-ccx/CalculiX/ccx_2.18/test/ |
H A D | beamdy1.dat.ref | 65 total kinetic energy for set EALL and time 0.1000000E-04 81 total kinetic energy for set EALL and time 0.2000000E-04 97 total kinetic energy for set EALL and time 0.3000000E-04 113 total kinetic energy for set EALL and time 0.4000000E-04 129 total kinetic energy for set EALL and time 0.5000000E-04 145 total kinetic energy for set EALL and time 0.6000000E-04 161 total kinetic energy for set EALL and time 0.7000000E-04 177 total kinetic energy for set EALL and time 0.8000000E-04 193 total kinetic energy for set EALL and time 0.9000000E-04 209 total kinetic energy for set EALL and time 0.1000000E-03
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/dports/science/siesta/siesta-4.1.5/Tests/Reference/ |
H A D | h2o_filteret_basis.out | 142 kinetic = 1.627975 149 kinetic = 3.735615 156 kinetic = 8.414497 163 kinetic = 14.987424 170 kinetic = 23.494206 190 kinetic = 5.026600 197 kinetic = 3.955608 204 kinetic = 7.884522 211 kinetic = 13.129985 218 kinetic = 19.701368 [all …]
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/dports/science/bagel/bagel-1.2.2/src/mat1e/ |
H A D | kinetic.cc | 49 KineticBatch kinetic(input); in computebatch() local 50 kinetic.compute(); in computebatch() 52 copy_block(offsetb1, offsetb0, dimb1, dimb0, kinetic.data()); in computebatch()
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/dports/multimedia/libv4l/linux-5.13-rc2/Documentation/devicetree/bindings/leds/backlight/ |
H A D | kinetic,ktd253.yaml | 4 $id: http://devicetree.org/schemas/leds/backlight/kinetic,ktd253.yaml# 26 - kinetic,ktd253 27 - kinetic,ktd259 46 compatible = "kinetic,ktd253";
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/dports/multimedia/v4l-utils/linux-5.13-rc2/Documentation/devicetree/bindings/leds/backlight/ |
H A D | kinetic,ktd253.yaml | 4 $id: http://devicetree.org/schemas/leds/backlight/kinetic,ktd253.yaml# 26 - kinetic,ktd253 27 - kinetic,ktd259 46 compatible = "kinetic,ktd253";
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/dports/multimedia/v4l_compat/linux-5.13-rc2/Documentation/devicetree/bindings/leds/backlight/ |
H A D | kinetic,ktd253.yaml | 4 $id: http://devicetree.org/schemas/leds/backlight/kinetic,ktd253.yaml# 26 - kinetic,ktd253 27 - kinetic,ktd259 46 compatible = "kinetic,ktd253";
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/dports/math/py-pymc3/pymc-3.11.4/pymc3/step_methods/hmc/ |
H A D | integration.py | 46 kinetic = self._potential.energy(p, velocity=v) 47 energy = kinetic - logp 107 kinetic = pot.velocity_energy(p_new, v_new) 108 energy = kinetic - logp
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/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/tests/ |
H A D | md_openmp.f | 58 double precision kinetic 210 & kinetic ) 212 e0 = potential + kinetic 250 & step, potential, kinetic, ( potential + kinetic - e0 ) / e0 298 & kinetic ) 303 & step, potential, kinetic, ( potential + kinetic - e0 ) / e0
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