| /dports/science/gromacs/gromacs-2021.4/api/nblib/listed_forces/tests/ |
| H A D | calculator.cpp | 71 ListedInteractionData interactions; in TEST() local
110 pickType<HarmonicBondType>(interactions).parameters = bonds; in SetUp()
113 pickType<HarmonicAngleType>(interactions).parameters = angles; in SetUp()
126 ListedInteractionData interactions; member in nblib::test::__anon73782eee0111::ListedExampleData
134 auto indices = pickType<HarmonicBondType>(interactions).indices; in TEST_F()
135 auto bonds = pickType<HarmonicBondType>(interactions).parameters; in TEST_F()
144 auto indices = pickType<HarmonicBondType>(interactions).indices; in TEST_F()
154 auto indices = pickType<HarmonicAngleType>(interactions).indices; in TEST_F()
164 reduceListedForces(interactions, x, &forces, *pbc); in TEST_F()
200 interactions = data.interactions; in SetUp()
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| H A D | transformations.cpp | 63 ListedInteractionData interactions; in unsortedInteractions() local
66 pickType<HarmonicBondType>(interactions).indices = std::move(bondIndices); in unsortedInteractions()
69 pickType<HarmonicAngleType>(interactions).indices = std::move(angleIndices); in unsortedInteractions()
72 pickType<ProperDihedral>(interactions).indices = std::move(dihedralIndices); in unsortedInteractions()
74 return interactions; in unsortedInteractions()
79 ListedInteractionData interactions = unsortedInteractions(); in TEST() local
80 sortInteractions(interactions); in TEST()
87 EXPECT_EQ(pickType<HarmonicBondType>(interactions).indices, refBondIndices); in TEST()
88 EXPECT_EQ(pickType<HarmonicAngleType>(interactions).indices, refAngleIndices); in TEST()
89 EXPECT_EQ(pickType<ProperDihedral>(interactions).indices, refDihedralIndices); in TEST()
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| H A D | conversions.cpp | 62 ListedInteractionData interactions; in someBondsAndAngles() local
66 pickType<HarmonicBondType>(interactions).parameters = bonds; in someBondsAndAngles()
71 pickType<HarmonicAngleType>(interactions).parameters = angles; in someBondsAndAngles()
74 pickType<HarmonicBondType>(interactions).indices = std::move(bondIndices); in someBondsAndAngles()
77 pickType<HarmonicAngleType>(interactions).indices = std::move(angleIndices); in someBondsAndAngles()
79 return interactions; in someBondsAndAngles()
84 ListedInteractionData interactions = someBondsAndAngles(); in TEST() local
86 auto [idef, gmx_params] = createFFparams(interactions); in TEST()
90 pickType<HarmonicBondType>(interactions).parameters[0].equilDistance()); in TEST()
92 … pickType<HarmonicAngleType>(interactions).parameters[0].equilDistance() / DEG2RAD, in TEST()
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| H A D | linear_chain_input.hpp | 64 pickType<HarmonicBondType>(interactions).parameters = bonds; in LinearChainData()
68 pickType<HarmonicAngleType>(interactions).parameters = angles; in LinearChainData()
76 pickType<HarmonicBondType>(interactions).indices = bondIndices; in LinearChainData()
83 pickType<HarmonicAngleType>(interactions).indices = angleIndices; in LinearChainData()
104 pickType<HarmonicBondType>(interactions).parameters.push_back(dummyBond); in addOutliers()
105 int bondIndex = pickType<HarmonicBondType>(interactions).parameters.size() - 1; in addOutliers()
115 pickType<HarmonicBondType>(interactions) in addOutliers()
126 ListedInteractionData interactions; member in nblib::LinearChainData
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/tests/ |
| H A D | test_tabulatedpotential.cc | 84 vector<string> interactions;
85 interactions.push_back("file_interactions.txt");
159 Eigen::VectorXd column1 = getColumnFromFile(interactions.at(0), 1);
160 Eigen::VectorXd column2 = getColumnFromFile(interactions.at(0), 2);
161 Eigen::VectorXd column3 = getColumnFromFile(interactions.at(0), 3);
191 Eigen::VectorXd column1 = getColumnFromFile(interactions.at(0), 1);
192 Eigen::VectorXd column2 = getColumnFromFile(interactions.at(0), 2);
193 Eigen::VectorXd column3 = getColumnFromFile(interactions.at(0), 3);
225 Eigen::VectorXd column1 = getColumnFromFile(interactions.at(0), 1);
226 Eigen::VectorXd column2 = getColumnFromFile(interactions.at(0), 2);
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/tests/ |
| H A D | test_tabulatedpotential.cc | 84 vector<string> interactions; in BOOST_AUTO_TEST_CASE() local
85 interactions.push_back("file_interactions.txt"); in BOOST_AUTO_TEST_CASE()
159 Eigen::VectorXd column1 = getColumnFromFile(interactions.at(0), 1); in BOOST_AUTO_TEST_CASE()
160 Eigen::VectorXd column2 = getColumnFromFile(interactions.at(0), 2); in BOOST_AUTO_TEST_CASE()
161 Eigen::VectorXd column3 = getColumnFromFile(interactions.at(0), 3); in BOOST_AUTO_TEST_CASE()
191 Eigen::VectorXd column1 = getColumnFromFile(interactions.at(0), 1); in BOOST_AUTO_TEST_CASE()
192 Eigen::VectorXd column2 = getColumnFromFile(interactions.at(0), 2); in BOOST_AUTO_TEST_CASE()
193 Eigen::VectorXd column3 = getColumnFromFile(interactions.at(0), 3); in BOOST_AUTO_TEST_CASE()
225 Eigen::VectorXd column1 = getColumnFromFile(interactions.at(0), 1); in BOOST_AUTO_TEST_CASE()
226 Eigen::VectorXd column2 = getColumnFromFile(interactions.at(0), 2); in BOOST_AUTO_TEST_CASE()
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| /dports/math/vowpal_wabbit/vowpal_wabbit-7.10/explore/tests/ |
| H A D | MWTExploreTests.cs | 40 var interactions = recorder.GetAllInteractions(); in EpsilonGreedy()
41 Assert.AreEqual(2, interactions.Count); in EpsilonGreedy()
65 var interactions = recorder.GetAllInteractions(); in TauFirst()
66 Assert.AreEqual(0, interactions.Count); in TauFirst()
96 var interactions = recorder.GetAllInteractions(); in Bootstrap()
97 Assert.AreEqual(2, interactions.Count); in Bootstrap()
159 Assert.AreEqual(3, interactions.Count); in SoftmaxScores()
161 for (int i = 0; i < interactions.Count; i++) in SoftmaxScores()
184 Assert.AreEqual(1, interactions.Count); in Generic()
222 interactions.Add(new TestInteraction<Ctx>() in Record()
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| /dports/www/py-betamax/betamax-0.8.1/tests/integration/ |
| H A D | test_record_modes.py | 15 assert betamax.current_cassette.interactions != []
76 assert cassette.interactions != []
77 assert len(cassette.interactions) == 4
80 assert len(cassette.interactions) == 5
84 assert len(cassette.interactions) == 5
113 assert cassette.interactions != []
114 assert len(cassette.interactions) == 5
117 assert len(cassette.interactions) == 6
128 assert cassette.interactions != []
129 assert len(cassette.interactions) == 5
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| /dports/science/gromacs/gromacs-2021.4/api/nblib/listed_forces/ |
| H A D | conversions.hpp | 130 for (const auto& hbond : interactions.parameters) in transferParameters()
142 for (const auto& angle : interactions.parameters) in transferParameters()
154 for (const auto& dihedral : interactions.parameters) in transferParameters()
168 for (const auto& index : interactions.indices) in transferIndicesImpl()
181 for (const auto& index : interactions.indices) in transferIndicesImpl()
195 for (const auto& index : interactions.indices) in transferIndicesImpl()
210 for (const auto& index : interactions.indices) in transferIndicesImpl()
246 createFFparams(const ListedInteractionData& interactions) in createFFparams() argument
258 for_each_tuple(copyParamsOneType, interactions); in createFFparams()
271 for_each_tuple(extractNIndices, interactions); in createFFparams()
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| /dports/science/gromacs/gromacs-2021.4/api/nblib/tests/ |
| H A D | interactions.cpp | 65 ParticleTypesInteractions interactions; in TEST() local
77 interactions.add(atom1.name(), c6_1, c12_1); in TEST()
78 interactions.add(atom2.name(), c6_2, c12_2); in TEST()
79 interactions.add(atom3.name(), c6_3, c12_3); in TEST()
82 auto nbfp = interactions.generateTable(); in TEST()
126 ParticleTypesInteractions interactions; in TEST() local
138 interactions.add(atom1.name(), c6_1, c12_1); in TEST()
139 interactions.add(atom2.name(), c6_2, c12_2); in TEST()
140 interactions.add(atom3.name(), c6_3, c12_3); in TEST()
159 interactions.merge(otherInteractions); in TEST()
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| /dports/graphics/py-mpl-interactions/mpl_interactions-0.19.0/mpl_interactions.egg-info/ |
| H A D | PKG-INFO | 2 Name: mpl-interactions
10 Project-URL: Tracker, https://github.com/ianhi/mpl-interactions/issues
11 Project-URL: Changelog, https://github.com/ianhi/mpl-interactions/releases
12 Project-URL: Documentation, https://mpl-interactions.rtfd.io
13 Project-URL: Source, https://github.com/ianhi/mpl-interactions
46 [](https://pypi.org/project/mpl-inter…
47 …ons](https://img.shields.io/pypi/pyversions/mpl-interactions)](https://pypi.org/project/mpl-intera…
48 … Status](https://readthedocs.org/projects/mpl-interactions/badge/?version=stable)](https://mpl-int…
50 …(https://github.com/ianhi/mpl-interactions/actions/workflows/test.yml/badge.svg)](https://github.c…
51 …mit.ci/badge/github/ianhi/mpl-interactions/master.svg)](https://results.pre-commit.ci/latest/githu…
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| /dports/graphics/py-mpl-interactions/mpl_interactions-0.19.0/ |
| H A D | PKG-INFO | 10 Project-URL: Tracker, https://github.com/ianhi/mpl-interactions/issues
11 Project-URL: Changelog, https://github.com/ianhi/mpl-interactions/releases
12 Project-URL: Documentation, https://mpl-interactions.rtfd.io
13 Project-URL: Source, https://github.com/ianhi/mpl-interactions
46 [](https://pypi.org/project/mpl-inter…
47 …ons](https://img.shields.io/pypi/pyversions/mpl-interactions)](https://pypi.org/project/mpl-intera…
48 … Status](https://readthedocs.org/projects/mpl-interactions/badge/?version=stable)](https://mpl-int…
50 …(https://github.com/ianhi/mpl-interactions/actions/workflows/test.yml/badge.svg)](https://github.c…
51 …mit.ci/badge/github/ianhi/mpl-interactions/master.svg)](https://results.pre-commit.ci/latest/githu…
60 …hi/mpl-interactions/master/docs/_static/images/short-interactive.gif width=45%> <img src=https://r…
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| H A D | README.md | 9 [](https://pypi.org/project/mpl-inter…
10 …ons](https://img.shields.io/pypi/pyversions/mpl-interactions)](https://pypi.org/project/mpl-intera…
11 … Status](https://readthedocs.org/projects/mpl-interactions/badge/?version=stable)](https://mpl-int…
12 [](https://mybinder.org/v2/gh/ianhi/mpl-interactions/…
13 …(https://github.com/ianhi/mpl-interactions/actions/workflows/test.yml/badge.svg)](https://github.c…
14 …mit.ci/badge/github/ianhi/mpl-interactions/master.svg)](https://results.pre-commit.ci/latest/githu…
21 …documentation and example can be found on [Read the Docs](https://mpl-interactions.readthedocs.io).
23 …hi/mpl-interactions/master/docs/_static/images/short-interactive.gif width=45%> <img src=https://r…
42 …l-interactions.readthedocs.io/en/latest/). You may also find it helpful to check out the [examples…
57 …interactions/commits?author=jrussell25" title="Code">��</a> <a href="#userTesting-jrussell25" titl…
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| /dports/www/py-betamax/betamax-0.8.1/betamax/cassette/ |
| H A D | cassette.py | 62 self.interactions = []
97 self.interactions = []
104 if self.interactions:
132 for interaction in self.interactions:
143 self.interactions.remove(interaction)
170 interactions = self.serialized.get('http_interactions', [])
171 self.interactions = [Interaction(i) for i in interactions]
173 for i in self.interactions:
178 for i in self.interactions:
186 self.interactions.append(interaction)
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| /dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/lib/frmenus/dex/ |
| H A D | resoluti.top | 8 interactions (low resolution) or high order
9 interactions (high resolution). In general, the
13 2-term interactions (undesirable), then the resolution
15 interactions but with some 3-term interactions
17 confounded with no 2-term interactions and no 3-term
18 interactions but with some 4-term interactions
23 with interactions that are more likely in nature to be
24 null (namely, high-order interactions) than real
25 (namely, low-order interactions). In short, therefore,
|
| H A D | cs25m1.top | 11 4-term interactions and higher;
13 with any 2- or 3-term interactions)
40 with any 2-term interactions;
41 no 2-term interactions are confounded
42 with any other 2-term interactions.
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| H A D | cs28m1.top | 11 7-term interactions and higher;
13 with any 2-, 3-, ..., 6-term interactions)
61 with any 2-term interactions;
62 no 2-term interactions are confounded
63 with any other 2-term interactions.
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| H A D | cs28m2.top | 11 4-term interactions and higher;
13 with any 2- or 3-term interactions)
63 with any 2-term interactions;
64 no 2-term interactions are confounded
65 with any other 2-term interactions.
|
| /dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/lib/frmenus/dex2kmp/ |
| H A D | resoluti.top | 8 interactions (low resolution) or high order
9 interactions (high resolution). In general, the
13 2-term interactions (undesirable), then the resolution
15 interactions but with some 3-term interactions
17 confounded with no 2-term interactions and no 3-term
18 interactions but with some 4-term interactions
23 with interactions that are more likely in nature to be
24 null (namely, high-order interactions) than real
25 (namely, low-order interactions). In short, therefore,
|
| H A D | confound.top | 9 2) contaminents/bias from high-order interactions.
25 interactions, and another in which main effects
26 are confounded with no 2-term interactions but with
27 some 3-term interactions, then one would normally
31 interactions are (in nature) less likely to be
32 real that lower-order interactions, such a choice
39 interactions, 3-term interactions, etc. from the design.
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/solvation/ |
| H A D | hamiltonian.py | 19 cavity, dielectric, interactions, argument
33 self.interactions = interactions
36 for ia in interactions:
48 for ia in interactions:
75 for ia in self.interactions:
85 for ia in self.interactions:
109 for ia in self.interactions]
118 if len(self.interactions) > 0:
159 for ia in self.interactions:
197 for ia in self.interactions:
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| /dports/science/gromacs/gromacs-2021.4/docs/reference-manual/topologies/ |
| H A D | molecule-definition.rst | 26 Intermolecular interactions
30 interact with other interactions than the usual non-bonded interactions.
39 interactions in the ``[ intermolecular_interactions]``
43 that no interactions can be used that generates exclusions and no
48 Intramolecular pair interactions
53 definition. The parameters for these interactions can be set
55 force fields, pairs are only used to modify the 1-4 interactions
57 the 1-4 interactions are excluded from the non-bonded interactions (see
79 The normal pair interactions, intended for 1-4 interactions, have
89 and LJ interactions within the solute are not modified. For this
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| /dports/devel/spark/spark-2.1.1/common/network-shuffle/src/test/java/org/apache/spark/network/shuffle/ |
| H A D | RetryingBlockFetcherSuite.java | 72 List<? extends Map<String, Object>> interactions = Arrays.asList( in testNoFailures() local
80 performInteractions(interactions, listener); in testNoFailures()
91 List<? extends Map<String, Object>> interactions = Arrays.asList( in testUnrecoverableFailure() local
99 performInteractions(interactions, listener); in testUnrecoverableFailure()
110 List<? extends Map<String, Object>> interactions = Arrays.asList( in testSingleIOExceptionOnFirst() local
122 performInteractions(interactions, listener); in testSingleIOExceptionOnFirst()
144 performInteractions(interactions, listener); in testSingleIOExceptionOnSecond()
172 performInteractions(interactions, listener); in testTwoIOExceptions()
204 performInteractions(interactions, listener); in testThreeIOExceptions()
234 performInteractions(interactions, listener); in testRetryAndUnrecoverable()
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/app/cn3d/ |
| H A D | cdd_ibis_annot_dialog.cpp | 692 interactions->InsertColumn(0, itemCol); in BEGIN_EVENT_TABLE()
696 interactions->InsertColumn(1, itemCol); in BEGIN_EVENT_TABLE()
700 interactions->InsertColumn(2, itemCol); in BEGIN_EVENT_TABLE()
704 interactions->InsertColumn(3, itemCol); in BEGIN_EVENT_TABLE()
708 interactions->InsertColumn(4, itemCol); in BEGIN_EVENT_TABLE()
1327 interactions->Hide(); in SetupGUIControls()
1368 nItems = interactions->GetItemCount(); in SetupGUIControls()
1372 interactions->SetItemImage(i, 4); in SetupGUIControls()
1384 interactions->Show(); in SetupGUIControls()
1464 interactions->SetFocus(); in SetupGUIControls()
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| /dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
| H A D | bond_special.rst | 28 Coulombic interactions between selected pairs of particles in the
35 on 1-5 or 1-6 interactions. Or it can be used to add pairwise forces
52 * :math:`w_{Coul}` weight (0.0 to 1.0) on pairwise Coulombic interactions
65 interactions in the system, all the 1-5 pairs of atoms must be listed
71 1-2, 1-3, or 1-4 interactions within the molecular topology.
73 Specifically 1-2 interactions must have weights of zero, 1-3
74 interactions must either have weights of unity or :doc:`special_bonds
75 angle yes <special_bonds>` must be used, and 1-4 interactions must
79 If this command is used to create bonded interactions between
81 interactions), this style may require an increase in the communication
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