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/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/properties/
H A DProperties_point.cpp23 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Datc_temperature_definition.rst11 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*
H A Dcompute_ke_atom_eff.rst27 (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
H A Dcompute_ke.rst26 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
H A Datc_hardy_gradients.rst23 - 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
H A Datc_hardy_rates.rst23 - 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
H A Dcompute_ke_eff.rst26 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
H A Datc_hardy_fields.rst25 - 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
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dkg_tnadd_mat.F401 … 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dkg_tnadd_mat.F401 … 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 …]
/dports/math/py-yt/yt-4.0.1/yt/data_objects/level_sets/
H A Dclump_validators.py42 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
/dports/science/bagel/bagel-1.2.2/src/mat1e/rel/
H A Drelhcore.cc39 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_()
/dports/science/py-OpenFermion/OpenFermion-1.3.0/src/openfermion/circuits/trotter/
H A Ddiagonal_coulomb_trotter_error_test.py48 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 …]
/dports/science/bagel/bagel-1.2.2/src/mat1e/giao/
H A Drelhcore_london.cc37 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_()
H A Dzkinetic.cc49 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()
/dports/graphics/pcl-pointclouds/pcl-pcl-1.12.0/.dev/docker/perception_pcl_ros/
H A Dkinetic_rosinstall.yaml2 local-name: 'kinetic/perception_pcl'
4 version: 'kinetic-devel'
6 local-name: 'kinetic/pcl_conversions'
10 local-name: 'kinetic/pcl_msgs'
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/system/
H A DRing_system.cpp173 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()
/dports/cad/calculix-ccx/CalculiX/ccx_2.18/test/
H A Dbeamdy1.dat.ref65 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
/dports/science/siesta/siesta-4.1.5/Tests/Reference/
H A Dh2o_filteret_basis.out142 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 …]
/dports/science/bagel/bagel-1.2.2/src/mat1e/
H A Dkinetic.cc49 KineticBatch kinetic(input); in computebatch() local
50 kinetic.compute(); in computebatch()
52 copy_block(offsetb1, offsetb0, dimb1, dimb0, kinetic.data()); in computebatch()
/dports/multimedia/libv4l/linux-5.13-rc2/Documentation/devicetree/bindings/leds/backlight/
H A Dkinetic,ktd253.yaml4 $id: http://devicetree.org/schemas/leds/backlight/kinetic,ktd253.yaml#
26 - kinetic,ktd253
27 - kinetic,ktd259
46 compatible = "kinetic,ktd253";
/dports/multimedia/v4l-utils/linux-5.13-rc2/Documentation/devicetree/bindings/leds/backlight/
H A Dkinetic,ktd253.yaml4 $id: http://devicetree.org/schemas/leds/backlight/kinetic,ktd253.yaml#
26 - kinetic,ktd253
27 - kinetic,ktd259
46 compatible = "kinetic,ktd253";
/dports/multimedia/v4l_compat/linux-5.13-rc2/Documentation/devicetree/bindings/leds/backlight/
H A Dkinetic,ktd253.yaml4 $id: http://devicetree.org/schemas/leds/backlight/kinetic,ktd253.yaml#
26 - kinetic,ktd253
27 - kinetic,ktd259
46 compatible = "kinetic,ktd253";
/dports/math/py-pymc3/pymc-3.11.4/pymc3/step_methods/hmc/
H A Dintegration.py46 kinetic = self._potential.energy(p, velocity=v)
47 energy = kinetic - logp
107 kinetic = pot.velocity_energy(p_new, v_new)
108 energy = kinetic - logp
/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/tests/
H A Dmd_openmp.f58 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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