| /dports/math/openturns/openturns-1.18/python/test/ |
| H A D | t_OptimalLHSExperiment_ishigami.py | 54 orthogonal_basis = ot.OrthogonalProductPolynomialFactory( variable
58 adaptive_strategy = ot.FixedStrategy(orthogonal_basis, basis_size)
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| /dports/science/bagel/bagel-1.2.2/src/smith/caspt2/ |
| H A D | MSCASPT2.cc | 195 if (info_->orthogonal_basis()) { in solve_gradient()
228 if (info_->orthogonal_basis()) { in solve_gradient()
298 if (info_->orthogonal_basis()) { in solve_gradient()
309 if (info_->orthogonal_basis()) { in solve_gradient()
325 if (info_->orthogonal_basis()) { in solve_gradient()
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| H A D | CASPT2.cc | 98 if (info_->orthogonal_basis()) in solve()
104 if (!info_->orthogonal_basis()) in solve()
124 if (info_->orthogonal_basis()) { in solve()
436 if (!info_->orthogonal_basis()) in solve_gradient()
447 if (info_->orthogonal_basis()) { in solve_gradient()
551 if (info_->orthogonal_basis()) { in solve_gradient()
655 if (info_->orthogonal_basis()) { in solve_gradient()
753 if (info_->orthogonal_basis()) { in solve_gradient()
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| /dports/math/openturns/openturns-1.18/python/doc/user_manual/ |
| H A D | user_manual.rst | 21 orthogonal_basis
|
| /dports/science/py-ase/ase-3.22.0/ase/geometry/dimensionality/ |
| H A D | isolation.py | 24 def orthogonal_basis(X, Y=None): function
126 scaled = np.dot(positions, orthogonal_basis(vhat).T / norm)
171 return a, b, orthogonal_basis(a, b)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_diagonalization.F | 1101 orthogonal_basis) argument
1113 LOGICAL, INTENT(IN) :: orthogonal_basis local
1197 IF (orthogonal_basis) THEN
1226 IF (orthogonal_basis) THEN
1284 ELSE IF (.NOT. orthogonal_basis) THEN
1320 IF (orthogonal_basis) THEN
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| H A D | cp_control_types.F | 69 LOGICAL :: orthogonal_basis component
131 LOGICAL :: orthogonal_basis component
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| H A D | almo_scf_types.F | 213 LOGICAL :: orthogonal_basis, fixed_mu component
|
| H A D | cp_control_utils.F | 886 l_val=qs_control%se_control%orthogonal_basis)
1010 qs_control%se_control%orthogonal_basis = .TRUE.
1017 l_val=qs_control%dftb_control%orthogonal_basis)
|
| H A D | qs_environment.F | 977 IF (dft_control%qs_control%se_control%orthogonal_basis) has_unit_metric = .TRUE.
980 IF (dft_control%qs_control%dftb_control%orthogonal_basis) has_unit_metric = .TRUE.
|
| H A D | almo_scf.F | 219 has_unit_metric=almo_scf_env%orthogonal_basis, &
1225 IF (almo_scf_env%orthogonal_basis) THEN
|
| H A D | almo_scf_optimizer.F | 4668 virt_orbs_orthogonal=almo_scf_env%orthogonal_basis, &
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_diagonalization.F | 1092 orthogonal_basis) argument
1104 LOGICAL, INTENT(IN) :: orthogonal_basis local
1188 IF (orthogonal_basis) THEN
1217 IF (orthogonal_basis) THEN
1275 ELSE IF (.NOT. orthogonal_basis) THEN
1311 IF (orthogonal_basis) THEN
|
| H A D | cp_control_types.F | 69 LOGICAL :: orthogonal_basis component
128 LOGICAL :: orthogonal_basis component
|
| H A D | almo_scf_types.F | 216 LOGICAL :: orthogonal_basis, fixed_mu component
|
| H A D | cp_control_utils.F | 876 l_val=qs_control%se_control%orthogonal_basis)
1000 qs_control%se_control%orthogonal_basis = .TRUE.
1007 l_val=qs_control%dftb_control%orthogonal_basis)
|
| H A D | qs_environment.F | 898 IF (dft_control%qs_control%se_control%orthogonal_basis) has_unit_metric = .TRUE.
901 IF (dft_control%qs_control%dftb_control%orthogonal_basis) has_unit_metric = .TRUE.
|
| H A D | almo_scf.F | 208 has_unit_metric=almo_scf_env%orthogonal_basis, &
1212 IF (almo_scf_env%orthogonal_basis) THEN
|
| H A D | almo_scf_optimizer.F | 3664 virt_orbs_orthogonal=almo_scf_env%orthogonal_basis, &
|
| /dports/science/bagel/bagel-1.2.2/src/smith/ |
| H A D | smith.cc | 67 if (info->orthogonal_basis()) {
|
| H A D | smith_info.h | 122 bool orthogonal_basis() const { return orthogonal_basis_; } in orthogonal_basis() function
|
| /dports/math/openturns/openturns-1.18/python/doc/theory/meta_modeling/ |
| H A D | chaos_basis.rst | 136 - See the available :ref:`orthogonal basis <orthogonal_basis>`.
|
| H A D | orthogonal_polynomials.rst | 132 - See the available :ref:`orthogonal basis <orthogonal_basis>`.
|