| /dports/science/qmcpack/qmcpack-3.11.0/src/Numerics/ |
| H A D | OneDimCubicSpline.h | 176 value_type first_deriv; variable
187 OneDimCubicSpline(grid_type* gt, const VV& nv) : base_type(gt), first_deriv(0.0), last_deriv(0.0) in OneDimCubicSpline()
204 first_deriv = a.first_deriv;
226 first_deriv = a.first_deriv; in shallow_copy()
238 return m_Y[0] + first_deriv * (r - r_min); in splint()
263 du = first_deriv; in splint()
265 return m_Y[0] + first_deriv * (r - r_min); in splint()
292 du = first_deriv; in splint()
294 return m_Y[0] + first_deriv * (r - r_min); in splint()
323 first_deriv = yp1; in spline()
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| H A D | OneDimQuinticSpline.h | 54 value_type first_deriv; variable
61 …OneDimQuinticSpline(grid_type* gt, const VV& nv) : base_type(gt), first_deriv(0.0), last_deriv(0.0) in OneDimQuinticSpline()
95 first_deriv = a.first_deriv;
125 first_deriv = a.first_deriv; in shallow_copy()
163 return m_Y[0] + first_deriv * (r - r_min); in splint()
179 return m_Y[0] + first_deriv * (r - r_min); in splint()
194 return m_Y[0] + first_deriv * (r - r_min); in splint()
207 first_deriv = yp1; in spline()
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| /dports/science/minc2/minc-release-2.2.00/volume_io/Volumes/ |
| H A D | evaluate.c | 381 Real **first_deriv, in interpolate_volume() argument
392 else if( first_deriv != NULL ) in interpolate_volume()
436 if( first_deriv != NULL ) in interpolate_volume()
709 Real **first_deriv, in evaluate_volume() argument
736 if( first_deriv == NULL ) in evaluate_volume()
739 deriv = first_deriv[0]; in evaluate_volume()
763 first_deriv == NULL && second_deriv == NULL ) in evaluate_volume()
862 first_deriv[v][d] = 0.0; in evaluate_volume()
1047 Real **first_deriv, ***second_deriv; in evaluate_volume_in_world() local
1097 first_deriv = NULL; in evaluate_volume_in_world()
[all …]
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/ |
| H A D | MultiQuinticSpline1D.h | 110 aligned_vector<T> first_deriv; variable
133 u[i] = a[i] + first_deriv[i] * dr; in evaluate()
161 u[i] = a[i] + first_deriv[i] * dr; in evaluate()
162 du[i] = first_deriv[i]; in evaluate()
205 u[i] = a[i] + first_deriv[i] * dr; in evaluate()
206 du[i] = first_deriv[i]; in evaluate()
261 first_deriv.resize(num_splines_);
269 first_deriv[ispline] = in.first_deriv; in add_spline()
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| /dports/science/InsightToolkit/ITK-5.0.1/Modules/ThirdParty/MINC/src/libminc/volume_io/Volumes/ |
| H A D | evaluate.c | 559 VIO_Real **first_deriv, in interpolate_volume() argument
570 else if( first_deriv != NULL ) in interpolate_volume()
614 if( first_deriv != NULL ) in interpolate_volume()
887 VIO_Real **first_deriv, in evaluate_volume() argument
914 if( first_deriv == NULL ) in evaluate_volume()
917 deriv = first_deriv[0]; in evaluate_volume()
946 first_deriv == NULL && second_deriv == NULL ) in evaluate_volume()
1045 first_deriv[v][d] = 0.0; in evaluate_volume()
1230 VIO_Real **first_deriv, ***second_deriv; in evaluate_volume_in_world() local
1280 first_deriv = NULL; in evaluate_volume_in_world()
[all …]
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/tests/ |
| H A D | test_DescentEngine.cpp | 57 ValueType first_deriv = 5; variable
60 LDerivs.push_back(first_deriv);
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mp2_grids.F | 423 REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & local
476 … CALL calculate_objfunc(a_scaling, left_term, first_deriv, num_integ_points, my_open_shell, &
496 … CALL calculate_objfunc(a_scaling, left_term, first_deriv, num_integ_points, my_open_shell, &
689 … SUBROUTINE calculate_objfunc(a_scaling, left_term, first_deriv, num_integ_points, my_open_shell, & argument
694 REAL(KIND=dp), INTENT(INOUT) :: left_term, first_deriv local
708 first_deriv = 0.0_dp
723 first_deriv = first_deriv + wj(jquad)*cottj(jquad)**2* &
745 CALL mp_sum(first_deriv, para_env%group)
752 first_deriv = first_deriv + first_deriv_beta
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mp2_weights.F | 411 REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & local
464 … CALL calculate_objfunc(a_scaling, left_term, first_deriv, num_integ_points, my_open_shell, &
484 … CALL calculate_objfunc(a_scaling, left_term, first_deriv, num_integ_points, my_open_shell, &
677 … SUBROUTINE calculate_objfunc(a_scaling, left_term, first_deriv, num_integ_points, my_open_shell, & argument
682 REAL(KIND=dp), INTENT(INOUT) :: left_term, first_deriv local
696 first_deriv = 0.0_dp
711 first_deriv = first_deriv + wj(jquad)*cottj(jquad)**2* &
733 CALL mp_sum(first_deriv, para_env%group)
740 first_deriv = first_deriv + first_deriv_beta
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| /dports/science/py-scipy/scipy-1.7.1/scipy/interpolate/tests/ |
| H A D | test_polyint.py | 553 first_deriv = np.empty(deriv_shape)
554 first_deriv.fill(2)
561 (1, first_deriv),
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| /dports/science/InsightToolkit/ITK-5.0.1/Modules/ThirdParty/MINC/src/libminc/volume_io/Include/volume_io/ |
| H A D | vol_io_prototypes.h | 1107 VIO_Real **first_deriv,
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| /dports/science/minc2/minc-release-2.2.00/volume_io/Include/volume_io/ |
| H A D | vol_io_prototypes.h | 57 VIO_Real **first_deriv,
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| /dports/science/minc2/minc-release-2.2.00/volume_io/Documentation/ |
| H A D | volume_io.tex | 2033 Real **first_deriv,
|