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/dports/devel/inastemp/inastemp-0.2.4/Examples/ParticlesWithBranch/
H A Dmain.cpp72 potentials[idxSource] += ( inv_distance * physicalValues[idxTarget] ); in ScalarFunction()
224 vec_xst(resSource+currentSource, 0, &potentials[idxSource]); in HandVectorizedFunctionALTIVEC()
301 const __m512d currentSource = _mm512_loadu_pd(&potentials[idxSource]); in HandVectorizedFunctionAVX512KNL()
371 const __m512 currentSource = _mm512_loadu_ps(&potentials[idxSource]); in HandVectorizedFunctionAVX512KNL()
588 const __m128d currentSource = _mm_loadu_pd(&potentials[idxSource]); in HandVectorizedFunctionSSE3()
654 const __m128 currentSource = _mm_loadu_ps(&potentials[idxSource]); in HandVectorizedFunctionSSE3()
739 const VecType currentSource = VecType(&potentials[idxSource]); in VectorizedFunction()
740 (resSource+currentSource).storeInArray(&potentials[idxSource]); in VectorizedFunction()
743 potentials[idxTarget] += targetPotential.horizontalSum(); in VectorizedFunction()
788 std::unique_ptr< RealType[] > potentials(new RealType[NbParticles]); in Test() local
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/dports/multimedia/mkvtoolnix/mkvtoolnix-65.0.0/src/common/
H A Dframe_timing.cpp42 auto potentials = std::vector<common_frame_rate_diff_t>{}; in determine_frame_rate()
47 potentials.emplace_back(difference, common_frame_rate); in determine_frame_rate()
50 if (potentials.empty()) { in determine_frame_rate()
55 std::sort(potentials.begin(), potentials.end(), [](auto const &a, auto const &b) { in determine_frame_rate()
61 …duration, max_difference, potentials.size(), potentials[0].second.frame_rate, potentials[0].first)… in determine_frame_rate()
63 return potentials[0].second.frame_rate; in determine_frame_rate()
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/conf_avg/
H A DEnsemble_phimap.py49 potentials=[]
56 potentials.append(pots)
85 potentials=[]
88 potentials.append(pdbname)
89 return potentials
135 return potentials
220 return potentials
222 def average_potentials(self,potentials): argument
225 for i in range(0,len(potentials[0])):
228 currSum+=potentials[j][i]
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/dports/math/openfst/openfst-1.8.1/src/script/
H A Dtext-io.cc36 std::vector<WeightClass> *potentials) { in ReadPotentials() argument
45 potentials->clear(); in ReadPotentials()
57 while (potentials->size() <= s) { in ReadPotentials()
58 potentials->push_back(WeightClass::Zero(weight_type)); in ReadPotentials()
60 potentials->back() = weight; in ReadPotentials()
67 const std::vector<WeightClass> &potentials) { in WritePotentials() argument
78 for (size_t s = 0; s < potentials.size(); ++s) { in WritePotentials()
79 strm << s << "\t" << potentials[s] << "\n"; in WritePotentials()
/dports/graphics/rawstudio/rawstudio-2.0/plugins/load-rawspeed/rawspeed/
H A DTiffParser.cpp92 vector<TiffIFD*> potentials; in getDecoder() local
93 potentials = mRootIFD->getIFDsWithTag(DNGVERSION); in getDecoder()
95 if (!potentials.empty()) { // We have a dng image entry in getDecoder()
96 TiffIFD *t = potentials[0]; in getDecoder()
105 potentials = mRootIFD->getIFDsWithTag(MAKE); in getDecoder()
107 if (!potentials.empty()) { // We have make entry in getDecoder()
108 for (vector<TiffIFD*>::iterator i = potentials.begin(); i != potentials.end(); ++i) { in getDecoder()
/dports/cad/qelectrotech/qet-0.7.0/sources/utils/
H A Dconductorcreator.cpp100 QList<Conductor *> potentials = existingPotential(); in setUpPropertieToUse() local
104 if (!potentials.isEmpty()) in setUpPropertieToUse()
106 if (potentials.size() >= 2) in setUpPropertieToUse()
109 for(Conductor *c : potentials) { in setUpPropertieToUse()
114 for (Conductor *c : potentials) { in setUpPropertieToUse()
120 else if (potentials.size() == 1) in setUpPropertieToUse()
122 m_properties = potentials.first()->properties(); in setUpPropertieToUse()
123 m_sequential_number = potentials.first()->sequenceNum(); in setUpPropertieToUse()
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000/
H A Dkimspec.edn3 "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Nb.html#Nb-Ti-Al)"
5 …potentials of the embedded-atom type were developed for the Nb-Al system via an empirical fitting …
24 "title" "Interatomic potentials for ternary {Nb}-{Ti}-{Al} alloys"
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A DIntro_features.rst9 3. :ref:`Interatomic potentials (force fields) <ff>`
69 Interatomic potentials (force fields)
78 * charged pairwise potentials: Coulombic, point-dipole
80 * machine learning potentials: SNAP, GAP, ACE, N2P2, RANN, AGNI
92 * polymer potentials: all-atom, united-atom, bead-spring, breakable
93 * water potentials: TIP3P, TIP4P, SPC, SPC/E and variants
94 * interlayer potentials for graphene and analogues
95 * metal-organic framework potentials (QuickFF, MO-FF)
96 * implicit solvent potentials: hydrodynamic lubrication, Debye
99 * hybrid potentials: multiple pair, bond, angle, dihedral, improper potentials can be used in one s…
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H A Dpair_mgpt.rst20 cp ~/lammps/potentials/Ta6.8x.mgpt.parmin parmin
21 cp ~/lammps/potentials/Ta6.8x.mgpt.potin potin
30 multi-ion interatomic potentials in d-band transition metals, with a
44 three- and four-ion angular-force potentials, v_3 and v_4, depend
52 potentials v_n that are valid for mid-period transition metals with
86 E_vol and the potentials for the given material.
123 tantalum (Ta4 and Ta6.8x potentials), molybdenum (Mo5.2 potentials),
124 and vanadium (V6.1 potentials) are contained in the LAMMPS potentials
132 potentials. It is expected that MGPT potentials for additional
192 potentials provided in the "potentials" directory, where the
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/dports/science/jmol/jmol-14.32.7/src/org/jmol/quantum/
H A DMepCalculation.java88 private float[] potentials; field in MepCalculation
111 public void assignPotentials(Atom[] atoms, float[] potentials, in assignPotentials() argument
126 potentials[i] = f; in assignPotentials()
130 public void setup(int calcType, float[] potentials, in setup() argument
134 this.potentials = potentials; in setup()
140 P3[] xyz, Atom[] atoms, float[] potentials, in calculate() argument
142 setup(calcType, potentials, atoms, bsSelected); in calculate()
156 float x = potentials[i]; in getValueAtPoint()
168 float x0 = potentials[atomIndex]; in process()
/dports/math/z3/z3-z3-4.8.13/src/math/simplex/
H A Dnetwork_flow.h83 pivot_rule_impl(graph & g, vector<numeral> & potentials, in pivot_rule_impl() argument
86 m_potentials(potentials), in pivot_rule_impl()
98 first_eligible_pivot(graph & g, vector<numeral> & potentials, in first_eligible_pivot() argument
100 pivot_rule_impl(g, potentials, states, enter_id), in first_eligible_pivot()
109 best_eligible_pivot(graph & g, vector<numeral> & potentials, in best_eligible_pivot() argument
111 pivot_rule_impl(g, potentials, states, enter_id) { in best_eligible_pivot()
128 candidate_list_pivot(graph & g, vector<numeral> & potentials, in candidate_list_pivot() argument
130 pivot_rule_impl(g, potentials, states, enter_id), in candidate_list_pivot()
/dports/math/py-z3-solver/z3-z3-4.8.10/src/math/simplex/
H A Dnetwork_flow.h83 pivot_rule_impl(graph & g, vector<numeral> & potentials, in pivot_rule_impl() argument
86 m_potentials(potentials), in pivot_rule_impl()
98 first_eligible_pivot(graph & g, vector<numeral> & potentials, in first_eligible_pivot() argument
100 pivot_rule_impl(g, potentials, states, enter_id), in first_eligible_pivot()
109 best_eligible_pivot(graph & g, vector<numeral> & potentials, in best_eligible_pivot() argument
111 pivot_rule_impl(g, potentials, states, enter_id) { in best_eligible_pivot()
128 candidate_list_pivot(graph & g, vector<numeral> & potentials, in candidate_list_pivot() argument
130 pivot_rule_impl(g, potentials, states, enter_id), in candidate_list_pivot()
/dports/science/lammps/lammps-stable_29Sep2021/src/MGPT/
H A DREADME2 MGPT multi-ion potentials. The MGPT or model GPT method derives from
10 to f-band actinide metals, the multi-ion potentials are evaluated on the
18 the MGPT potentials are explicitly volume dependent, requiring special
26 (Ta4 and Ta6.8x potentials), molybdenum (Mo5.2 potentials), and
27 vanadium (V6.1 potentials) are contained in the LAMMPS "potentials"
28 directory. It is expected that MGPT potentials for additional
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005/
H A Dkimspec.edn2 "content-origin" "http://www.ctcms.nist.gov/potentials/Cu.html"
4 …potentials in the study of crystallization kinetics from deeply undercooled melts, focusing on the…
5 …0/34748b8d ] is better for this purpose.\r\n\r\nOther versions of this potentials with different S…
23 …"title" "Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalli…
/dports/games/pear-Games_Chess/Games_Chess-1.0.1/Chess/
H A DStandard.php582 $potentials = array();
605 $potentials[] = $value;
613 $potentials[] = $value[0];
622 $potentials[] = $value;
630 $potentials[] = $value[0];
638 $potentials[] = $value;
650 if (count($potentials) == 1) {
651 return $potentials[0];
665 $potentials = array();
690 if (count($potentials) == 1) {
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/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003/
H A Dkimspec.edn4 …potentials are indispensable for any large-scale atomistic simulations, and the relevance of simul…
24 "title" "Effective potentials for quasicrystals from ab-initio data"
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003/
H A Dkimspec.edn4 …potentials are indispensable for any large-scale atomistic simulations, and the relevance of simul…
24 "title" "Effective potentials for quasicrystals from ab-initio data"
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005/
H A Dkimspec.edn3 "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/Al.html#Al-Ti)"
5 …potentials while others for examining their quality. The potentials correctly predict the equilibr…
27 "title" "Interatomic potentials for atomistic simulations of the {Ti}-{Al} system"
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005/
H A Dkimspec.edn3 "content-origin" "http://www.ctcms.nist.gov/potentials/Al.html"
5 …potentials for monoatomic metals with improved accuracy and reliability. The functional form of th…
26 …"title" "Interatomic potentials for monoatomic metals from experimental data and ab initio calcula…
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005/
H A Dkimspec.edn3 "content-origin" "http://www.ctcms.nist.gov/potentials/Ni.html"
5 …potentials for monoatomic metals with improved accuracy and reliability. The functional form of th…
26 …"title" "Interatomic potentials for monoatomic metals from experimental data and ab initio calcula…
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000/
H A Dkimspec.edn3 "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/W.html)"
5 …potentials for studying radiation defects and dislocations in tungsten. The potentials use the emb…
24 "title" "Interatomic potentials for modelling radiation defects and dislocations in tungsten"
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000/
H A Dkimspec.edn3 "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/W.html)"
5 …potentials for studying radiation defects and dislocations in tungsten. The potentials use the emb…
24 "title" "Interatomic potentials for modelling radiation defects and dislocations in tungsten"
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/EAM_Dynamo_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000/
H A Dkimspec.edn3 "content-origin" "NIST IPRP (https://www.ctcms.nist.gov/potentials/W.html)"
5 …potentials for studying radiation defects and dislocations in tungsten. The potentials use the emb…
24 "title" "Interatomic potentials for modelling radiation defects and dislocations in tungsten"
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_ozone/
H A Ddft_ozone.nw46 title "Ozone --- case t10: in-core DFT energy (combination potentials)"
49 title "Ozone --- case t11: in-core DFT analytic gradient (combination potentials)"
51 #title "Ozone --- case t12: in-core DFT numeric gradient (combination potentials)"
54 title "Ozone --- case t13: in-core DFT energy (combination potentials)"
57 title "Ozone --- case t14: in-core DFT analytic gradient (combination potentials)"
59 #title "Ozone --- case t15: in-core DFT numeric gradient (combination potentials)"
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_000/
H A Dkimspec.edn3 …"description" "Interatomic potentials for sodium-tin binary system is developed on the basis of th…
16 …potentials for pure sodium and sodium-tin binary systems are developed on the basis of the second …
26 …le" "Second nearest-neighbor modified embedded atom method interatomic potentials for the {N}a una…

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