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Octopus
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Octopus
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This module implements common operations on batches of mesh functions. More...
This module implements common operations on batches of mesh functions.
Data Types | |
| interface | batch_add_with_map |
| interface | batch_axpby |
| batchified axpby: \( y = a*x + b*y \) More... | |
| interface | batch_axpy |
| batchified version of the BLAS axpy routine: \( y = a*x + y \) More... | |
| interface | batch_copy_with_map |
| interface | batch_get_points |
| interface | batch_get_state |
| interface | batch_mul_mf |
| batchified multiplication by mesh function with optional conjugation: \( y_i = f(r_i) * CJ(x_i) \) More... | |
| interface | batch_pointwise_mul |
| interface | batch_scal |
| scale a batch by a constant or vector \( y = a*x \) More... | |
| interface | batch_scal2v |
| batchified scale with optional conjugation: \( y = a*CJ(x) \) More... | |
| interface | batch_set_points |
| interface | batch_set_state |
| There are several ways how to call batch_set_state and batch_get_state: More... | |
| interface | batch_xpay |
| batchified version of \( y = x + a*y \) More... | |
Functions/Subroutines | |
| subroutine, public | batch_set_zero (this, np, async) |
| fill all mesh functions of the batch with zero More... | |
| subroutine | batch_get_points_accel (this, sp, ep, psi, ldpsi1, ldpsi2) |
| GPU version of batch_get_points. More... | |
| subroutine | batch_set_points_accel (this, sp, ep, psi, ldpsi1, ldpsi2) |
| GPU version of batch_set_points. More... | |
| integer pure function, public | batch_points_block_size () |
| determine the device block size More... | |
| subroutine | batch_mul_cj (np, xx, yy, zz, conjugate_yy) |
| Point-wise multiply two batches with optional conjugation on yy: zz_i = xx_i * CJ(yy_i) More... | |
| subroutine | batch_add_with_map_cpu (np, map, xx, yy, zz) |
| subroutine | batch_add_with_map_accel (np, map, xx, yy, zz) |
| subroutine | batch_copy_with_map_cpu (np, map, xx, yy) |
| subroutine | batch_copy_with_map_accel (np, map, xx, yy) |
| subroutine, public | batch_split_complex (np, xx, yy, zz) |
| extract the real and imaginary parts of a complex batch More... | |
| subroutine | dbatch_axpy_const (np, aa, xx, yy) |
| This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions. More... | |
| subroutine | dbatch_axpy_vec (np, aa, xx, yy, a_start, a_full) |
| This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch. More... | |
| subroutine, public | dbatch_axpy_function (np, aa, xx, psi, nst) |
| This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function. More... | |
| subroutine, public | dbatch_ax_function_py (np, aa, psi, yy) |
| This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),. More... | |
| subroutine | dbatch_scal_const (np, aa, xx) |
| scale all functions in a batch by constant aa More... | |
| subroutine | dbatch_scal_vec (np, aa, xx, a_start, a_full) |
| scale all functions in a batch by state dependent constant More... | |
| subroutine | dbatch_xpay_vec (np, xx, aa, yy, a_start, a_full) |
| calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch More... | |
| subroutine | dbatch_xpay_const (np, xx, aa, yy) |
| calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch More... | |
| subroutine | dbatch_axpby (np, aa, xx, bb, yy) |
| calculate yy(ist,:) = aa*xx(ist,:) + bb*yy(ist,:) for a batch More... | |
| subroutine | dbatch_scal2v (np, aa, xx, yy, conjugate_xx) |
| calculate yy(ist,:) = aa*CJ(xx(ist,:)) for a batch More... | |
| subroutine | dbatch_mul_mf (np, ff, xx, yy, conjugate_xx) |
| calculate yy(ist,:) = ff(:) * CJ(xx(ist,:)) for a batch More... | |
| subroutine | dbatch_set_state1 (this, ist, np, psi) |
| Write a single state with np points into a batch at position ist. More... | |
| subroutine | dbatch_set_state2 (this, index, np, psi) |
| Write a single state with np points into a batch at position defined by index. More... | |
| subroutine | dbatch_set_state3 (this, ii, np, psi) |
| Write a set of state with np points into a batch. More... | |
| subroutine | dbatch_get_state1 (this, ist, np, psi, async) |
| Write a get of state with np points from a batch. More... | |
| subroutine | dbatch_get_state2 (this, index, np, psi, async) |
| subroutine | dbatch_get_state3 (this, ii, np, psi, async) |
| subroutine | dbatch_get_points (this, sp, ep, psi) |
| copy a set of points into a mesh function More... | |
| subroutine | dbatch_set_points (this, sp, ep, psi) |
| copy a set of points into a mesh function More... | |
| subroutine | dbatch_add_with_map (np, map, xx, yy, zz) |
| subroutine | dbatch_copy_with_map (np, map, xx, yy) |
| subroutine, public | dbatch_copy_with_map_to_array (np, map, xx, array) |
| Transfer a batch from the mesh to an array on the submesh (defined by a map) More... | |
| subroutine | zbatch_axpy_const (np, aa, xx, yy) |
| This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions. More... | |
| subroutine | zbatch_axpy_vec (np, aa, xx, yy, a_start, a_full) |
| This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch. More... | |
| subroutine, public | zbatch_axpy_function (np, aa, xx, psi, nst) |
| This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function. More... | |
| subroutine, public | zbatch_ax_function_py (np, aa, psi, yy) |
| This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),. More... | |
| subroutine | zbatch_scal_const (np, aa, xx) |
| scale all functions in a batch by constant aa More... | |
| subroutine | zbatch_scal_vec (np, aa, xx, a_start, a_full) |
| scale all functions in a batch by state dependent constant More... | |
| subroutine | zbatch_xpay_vec (np, xx, aa, yy, a_start, a_full) |
| calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch More... | |
| subroutine | zbatch_xpay_const (np, xx, aa, yy) |
| calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch More... | |
| subroutine | zbatch_axpby (np, aa, xx, bb, yy) |
| calculate yy(ist,:) = aa*xx(ist,:) + bb*yy(ist,:) for a batch More... | |
| subroutine | zbatch_scal2v (np, aa, xx, yy, conjugate_xx) |
| calculate yy(ist,:) = aa*CJ(xx(ist,:)) for a batch More... | |
| subroutine | zbatch_mul_mf (np, ff, xx, yy, conjugate_xx) |
| calculate yy(ist,:) = ff(:) * CJ(xx(ist,:)) for a batch More... | |
| subroutine | zbatch_set_state1 (this, ist, np, psi) |
| Write a single state with np points into a batch at position ist. More... | |
| subroutine | zbatch_set_state2 (this, index, np, psi) |
| Write a single state with np points into a batch at position defined by index. More... | |
| subroutine | zbatch_set_state3 (this, ii, np, psi) |
| Write a set of state with np points into a batch. More... | |
| subroutine | zbatch_get_state1 (this, ist, np, psi, async) |
| Write a get of state with np points from a batch. More... | |
| subroutine | zbatch_get_state2 (this, index, np, psi, async) |
| subroutine | zbatch_get_state3 (this, ii, np, psi, async) |
| subroutine | zbatch_get_points (this, sp, ep, psi) |
| copy a set of points into a mesh function More... | |
| subroutine | zbatch_set_points (this, sp, ep, psi) |
| copy a set of points into a mesh function More... | |
| subroutine | zbatch_add_with_map (np, map, xx, yy, zz) |
| subroutine | zbatch_copy_with_map (np, map, xx, yy) |
| subroutine, public | zbatch_copy_with_map_to_array (np, map, xx, array) |
| Transfer a batch from the mesh to an array on the submesh (defined by a map) More... | |
| subroutine, public batch_ops_oct_m::batch_set_zero | ( | class(batch_t), intent(inout) | this, |
| integer, intent(in), optional | np, | ||
| logical, intent(in), optional | async | ||
| ) |
fill all mesh functions of the batch with zero
| [in] | np | number of mesh points to consider. By deafult, all points are set to zero, meaning that np = np_part. This allows to set the batch to zero only for points up to np |
Definition at line 264 of file batch_ops.F90.
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GPU version of batch_get_points.
| [in] | this | the batch |
| [in] | sp | starting point |
| [in] | ep | end point |
| [in,out] | psi | device buffer for mesh function |
| [in] | ldpsi1 | number of states: stnst |
| [in] | ldpsi2 | states dimensions: ddim |
Definition at line 340 of file batch_ops.F90.
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GPU version of batch_set_points.
| [in,out] | this | the batch |
| [in] | sp | starting point |
| [in] | ep | end point |
| [in] | psi | device buffer of mesh function |
| [in] | ldpsi1 | number of states: stnst |
| [in] | ldpsi2 | state dimensions ddim |
Definition at line 407 of file batch_ops.F90.
| integer pure function, public batch_ops_oct_m::batch_points_block_size |
determine the device block size
Currently, this is just set to a constant.
Definition at line 476 of file batch_ops.F90.
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Point-wise multiply two batches with optional conjugation on yy: zz_i = xx_i * CJ(yy_i)
Definition at line 485 of file batch_ops.F90.
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Definition at line 607 of file batch_ops.F90.
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Definition at line 635 of file batch_ops.F90.
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Definition at line 667 of file batch_ops.F90.
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Definition at line 694 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::batch_split_complex | ( | integer, intent(in) | np, |
| class(batch_t), intent(in) | xx, | ||
| class(batch_t), intent(inout) | yy, | ||
| class(batch_t), intent(inout) | zz | ||
| ) |
extract the real and imaginary parts of a complex batch
| [in] | np | number of mesh points to consider |
| [in] | xx | original batch (must be of type TYPE_CMPLX) |
| [in,out] | yy | batch containing real part of xx (must be of type TYPE_FLOAT) |
| [in,out] | zz | batch containing imaginary part of xx (must be of type TYPE_FLOAT) |
Definition at line 730 of file batch_ops.F90.
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This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions.
| [in] | np | number of points |
| [in,out] | yy | yy(:,:) = aa*xx(:,:) + yy(:,:) |
Definition at line 833 of file batch_ops.F90.
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private |
This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch.
| [in] | np | number of points |
| [in] | aa | array of multipliers |
| [in,out] | yy | y(ist,:) = aa(ist) * x(ist,:) + y(ist,:) |
| [in] | a_start | first state to operate on (default = 1) |
| [in] | a_full | Is aa of size st:nst? |
By default, aa is expected to be of size stnst, i.e., an array of the size of all states. The correct states will be picked from the indices stored in each batch. This is used, for example, for computing residuals given the eigenvalues. For a_full=.false., aa is expected to be of size yynst_linear, i.e. it has the size of the batch only.
Definition at line 918 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::dbatch_axpy_function | ( | integer, intent(in) | np, |
| real(real64), dimension(:), intent(in), contiguous | aa, | ||
| class(batch_t), intent(in) | xx, | ||
| real(real64), dimension(:,:), intent(inout), contiguous | psi, | ||
| integer, intent(in), optional | nst | ||
| ) |
This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function.
| [in] | np | number of points |
| [in] | xx | input batch |
| [in,out] | psi | result: \( psi = \sum_{ist=1}^{nst} aa(ist) * xx(ist) \) |
| [in] | aa | array of multipliers |
| [in] | nst | optional upper bound of sum |
Definition at line 1066 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::dbatch_ax_function_py | ( | integer, intent(in) | np, |
| real(real64), dimension(:), intent(in) | aa, | ||
| real(real64), dimension(:,:), intent(in), contiguous | psi, | ||
| class(batch_t), intent(inout) | yy | ||
| ) |
This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),.
| [in] | np | number of points |
| [in] | aa | array of multipliers |
| [in] | psi | mesh functions psi |
| [in,out] | yy | resulting batch yy(ist) = yy(ist) + aa(ist) * psi |
Definition at line 1172 of file batch_ops.F90.
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scale all functions in a batch by constant aa
| [in] | np | number of points |
| [in,out] | xx | xx(ist) = xx(ist) * aa |
Definition at line 1256 of file batch_ops.F90.
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scale all functions in a batch by state dependent constant
| [in] | np | number of points |
| [in,out] | xx | xx(ist) = xx(ist) * aa(ist) |
Definition at line 1292 of file batch_ops.F90.
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calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch
| [in] | np | number of points |
| [in] | aa | array of constants aa(ist) |
| [in,out] | yy | yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) |
Definition at line 1426 of file batch_ops.F90.
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calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch
| [in] | np | number of points |
| [in,out] | yy | yy(ist) = xx(ist) + a*yy(ist) |
Definition at line 1569 of file batch_ops.F90.
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calculate yy(ist,:) = aa*xx(ist,:) + bb*yy(ist,:) for a batch
Definition at line 1600 of file batch_ops.F90.
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calculate yy(ist,:) = aa*CJ(xx(ist,:)) for a batch
Definition at line 1719 of file batch_ops.F90.
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calculate yy(ist,:) = ff(:) * CJ(xx(ist,:)) for a batch
Definition at line 1863 of file batch_ops.F90.
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Write a single state with np points into a batch at position ist.
| [in,out] | this | batch to write the state to |
| [in] | ist | position where to write |
| [in] | np | number of points |
| [in] | psi | the state to write |
Definition at line 2015 of file batch_ops.F90.
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Write a single state with np points into a batch at position defined by index.
| [in,out] | this | batch to write the state into |
| [in] | index | how to access the state. For further information see batch_ops_oct_m::batch_set_state |
| [in] | np | number of points |
| [in] | psi | state to write to the batch |
Definition at line 2128 of file batch_ops.F90.
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Write a set of state with np points into a batch.
| [in,out] | this | batch to write the states into |
| [in] | ii | position |
| [in] | np | number of points |
| [in] | psi | states to write |
Definition at line 2146 of file batch_ops.F90.
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Write a get of state with np points from a batch.
| [in] | async | only working with pinned memory |
Definition at line 2166 of file batch_ops.F90.
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| [in] | async | only working with pinned memory |
Definition at line 2287 of file batch_ops.F90.
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| [in] | async | only working with pinned memory |
Definition at line 2305 of file batch_ops.F90.
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copy a set of points into a mesh function
| [in] | this | the batch to get points from |
| [in] | sp | starting point |
| [in] | ep | end point |
| [in,out] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 2326 of file batch_ops.F90.
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copy a set of points into a mesh function
| [in,out] | this | the batch to write points into |
| [in] | sp | starting point |
| [in] | ep | end point |
| [in] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 2406 of file batch_ops.F90.
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Definition at line 2491 of file batch_ops.F90.
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Definition at line 2533 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::dbatch_copy_with_map_to_array | ( | integer, intent(in) | np, |
| integer, dimension(:), intent(in) | map, | ||
| class(batch_t), intent(in) | xx, | ||
| real(real64), dimension(:,:), intent(inout) | array | ||
| ) |
Transfer a batch from the mesh to an array on the submesh (defined by a map)
| [in,out] | array | (psibnst_linear, submeshnp) |
Definition at line 2576 of file batch_ops.F90.
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This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions.
| [in] | np | number of points |
| [in,out] | yy | yy(:,:) = aa*xx(:,:) + yy(:,:) |
Definition at line 2698 of file batch_ops.F90.
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private |
This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch.
| [in] | np | number of points |
| [in] | aa | array of multipliers |
| [in,out] | yy | y(ist,:) = aa(ist) * x(ist,:) + y(ist,:) |
| [in] | a_start | first state to operate on (default = 1) |
| [in] | a_full | Is aa of size st:nst? |
By default, aa is expected to be of size stnst, i.e., an array of the size of all states. The correct states will be picked from the indices stored in each batch. This is used, for example, for computing residuals given the eigenvalues. For a_full=.false., aa is expected to be of size yynst_linear, i.e. it has the size of the batch only.
Definition at line 2783 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::zbatch_axpy_function | ( | integer, intent(in) | np, |
| complex(real64), dimension(:), intent(in), contiguous | aa, | ||
| class(batch_t), intent(in) | xx, | ||
| complex(real64), dimension(:,:), intent(inout), contiguous | psi, | ||
| integer, intent(in), optional | nst | ||
| ) |
This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function.
| [in] | np | number of points |
| [in] | xx | input batch |
| [in,out] | psi | result: \( psi = \sum_{ist=1}^{nst} aa(ist) * xx(ist) \) |
| [in] | aa | array of multipliers |
| [in] | nst | optional upper bound of sum |
Definition at line 2914 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::zbatch_ax_function_py | ( | integer, intent(in) | np, |
| complex(real64), dimension(:), intent(in) | aa, | ||
| complex(real64), dimension(:,:), intent(in), contiguous | psi, | ||
| class(batch_t), intent(inout) | yy | ||
| ) |
This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),.
| [in] | np | number of points |
| [in] | aa | array of multipliers |
| [in] | psi | mesh functions psi |
| [in,out] | yy | resulting batch yy(ist) = yy(ist) + aa(ist) * psi |
Definition at line 3020 of file batch_ops.F90.
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scale all functions in a batch by constant aa
| [in] | np | number of points |
| [in,out] | xx | xx(ist) = xx(ist) * aa |
Definition at line 3104 of file batch_ops.F90.
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private |
scale all functions in a batch by state dependent constant
| [in] | np | number of points |
| [in,out] | xx | xx(ist) = xx(ist) * aa(ist) |
Definition at line 3140 of file batch_ops.F90.
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calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch
| [in] | np | number of points |
| [in] | aa | array of constants aa(ist) |
| [in,out] | yy | yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) |
Definition at line 3257 of file batch_ops.F90.
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calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch
| [in] | np | number of points |
| [in,out] | yy | yy(ist) = xx(ist) + a*yy(ist) |
Definition at line 3375 of file batch_ops.F90.
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calculate yy(ist,:) = aa*xx(ist,:) + bb*yy(ist,:) for a batch
Definition at line 3406 of file batch_ops.F90.
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calculate yy(ist,:) = aa*CJ(xx(ist,:)) for a batch
Definition at line 3493 of file batch_ops.F90.
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calculate yy(ist,:) = ff(:) * CJ(xx(ist,:)) for a batch
Definition at line 3606 of file batch_ops.F90.
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Write a single state with np points into a batch at position ist.
| [in,out] | this | batch to write the state to |
| [in] | ist | position where to write |
| [in] | np | number of points |
| [in] | psi | the state to write |
Definition at line 3725 of file batch_ops.F90.
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private |
Write a single state with np points into a batch at position defined by index.
| [in,out] | this | batch to write the state into |
| [in] | index | how to access the state. For further information see batch_ops_oct_m::batch_set_state |
| [in] | np | number of points |
| [in] | psi | state to write to the batch |
Definition at line 3825 of file batch_ops.F90.
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Write a set of state with np points into a batch.
| [in,out] | this | batch to write the states into |
| [in] | ii | position |
| [in] | np | number of points |
| [in] | psi | states to write |
Definition at line 3843 of file batch_ops.F90.
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Write a get of state with np points from a batch.
| [in] | async | only working with pinned memory |
Definition at line 3863 of file batch_ops.F90.
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| [in] | async | only working with pinned memory |
Definition at line 3997 of file batch_ops.F90.
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| [in] | async | only working with pinned memory |
Definition at line 4015 of file batch_ops.F90.
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copy a set of points into a mesh function
| [in] | this | the batch to get points from |
| [in] | sp | starting point |
| [in] | ep | end point |
| [in,out] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 4036 of file batch_ops.F90.
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private |
copy a set of points into a mesh function
| [in,out] | this | the batch to write points into |
| [in] | sp | starting point |
| [in] | ep | end point |
| [in] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 4128 of file batch_ops.F90.
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Definition at line 4202 of file batch_ops.F90.
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Definition at line 4244 of file batch_ops.F90.
| subroutine, public batch_ops_oct_m::zbatch_copy_with_map_to_array | ( | integer, intent(in) | np, |
| integer, dimension(:), intent(in) | map, | ||
| class(batch_t), intent(in) | xx, | ||
| complex(real64), dimension(:,:), intent(inout) | array | ||
| ) |
Transfer a batch from the mesh to an array on the submesh (defined by a map)
| [in,out] | array | (psibnst_linear, submeshnp) |
Definition at line 4287 of file batch_ops.F90.
1.9.4