| /dports/net-p2p/go-ethereum/go-ethereum-1.10.14/les/flowcontrol/ |
| H A D | manager_test.go | 40 // whether the total amount of served requests matches the expected value based on
66 n.bufLimit = n.capacity * 6000
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/tests/ |
| H A D | test_sphere_lebedev_rule.cc | 40 mol.LoadFromFile(std::string(XTP_TEST_DATA_FOLDER) + in BOOST_AUTO_TEST_CASE()
66 BOOST_CHECK_EQUAL(Hgrid.theta.size(), C_theta_ref.size()); in BOOST_AUTO_TEST_CASE()
|
| H A D | test_segmentmapper.cc | 43 Atom atm3(1, "HB2", 7, Eigen::Vector3d::UnitY(), "H"); in BOOST_AUTO_TEST_CASE() local
100 Atom atm3(1, "HB2", 7, Eigen::Vector3d::UnitY(), "H"); in BOOST_AUTO_TEST_CASE() local
158 Atom atm3(1, "HB2", 7, Eigen::Vector3d::UnitY() + Eigen::Vector3d::Ones(), in BOOST_AUTO_TEST_CASE() local
|
| H A D | test_rpa.cc | 43 Logger log;
|
| /dports/net-p2p/go-ethereum/go-ethereum-1.10.14/les/ |
| H A D | handler_test.go | 43 ReqID, BV uint64
101 },
159 // Check that non existing headers aren't returned
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/tests/ |
| H A D | test_qmnblist.cc | 43 Atom atm3(3, "Ca", -Eigen::Vector3d::UnitX()); in BOOST_AUTO_TEST_CASE() local
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/DistGeomHelpers/ |
| H A D | BoundsMatrixBuilder.cpp | 580 const Atom *atm3 = mol.getAtomWithIdx(accumData.bondAdj->getVal(bid2, bid3)); in _setInRing14Bounds() local
693 const Atom *atm3 = mol.getAtomWithIdx(accumData.bondAdj->getVal(bid2, bid3)); in _setTwoInSameRing14Bounds() local
806 bool _checkNhChChNh(const Atom *atm1, const Atom *atm2, const Atom *atm3, in _checkNhChChNh()
827 const Atom *atm2, const Atom *atm3, const Atom *atm4) { in _checkAmideEster14()
862 const Atom *atm2, const Atom *atm3, const Atom *atm4) { in _checkMacrocycleAllInSameRingAmideEster14()
931 const Atom *atm1, const Atom *atm2, const Atom *atm3, in _checkAmideEster15()
961 const Atom *atm3 = mol.getAtomWithIdx(accumData.bondAdj->getVal(bid2, bid3)); in _setChain14Bounds() local
1197 const Atom *atm3 = mol.getAtomWithIdx(accumData.bondAdj->getVal(bid2, bid3)); in _record14Path() local
1234 const Atom *atm3, const Atom *atm4) { in _checkMacrocycleTwoInSameRingAmideEster14()
1262 const Atom *atm3 = mol.getAtomWithIdx(accumData.bondAdj->getVal(bid2, bid3)); in _setMacrocycleTwoInSameRing14Bounds() local
[all …]
|
| /dports/science/libghemical/libghemical-3.0.0/src/ |
| H A D | eng1_mm.cpp | 343 atom * atm3 = (* itc).atmr; in SearchCR1b() local
350 void eng1_mm::SearchCR2(atom * atm3, bond * reserved1, bond * reserved2) in SearchCR2()
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/gto/ |
| H A D | 21-concatenate_molecules.py | 31 atm3, bas3, env3 = gto.conc_env(mol1._atm, mol1._bas, mol1._env, variable
|
| /dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/ |
| H A D | zmatrixcalculator.cpp | 344 long atm1, atm2, atm3, atm4; in UpdateValues() local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | force_fields_all.F | 3336 SUBROUTINE store_FF_missing_par(atm1, atm2, atm3, atm4, type_name, fatal, array) argument
3338 CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: atm2, atm3, atm4 local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | force_fields_all.F | 3336 SUBROUTINE store_FF_missing_par(atm1, atm2, atm3, atm4, type_name, fatal, array) argument
3338 CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: atm2, atm3, atm4 local
|