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SIRIUS 7.5.0
Electronic structure library and applications
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CUDA kernels to generate augmentation operator and its derivative. More...
Go to the source code of this file.
Functions | |
| __global__ void | aug_op_pw_coeffs_gpu_kernel (int ngvec__, int const *gvec_shell__, int const *idx__, int idxmax__, acc_complex_double_t const *zilm__, int const *l_by_lm__, int lmmax__, double const *gc__, int ld0__, int ld1__, double const *gvec_rlm__, int ld2__, double const *ri_values__, int ld3__, int ld4__, double *q_pw__, int ld5__, double fourpi_omega__) |
| void | aug_op_pw_coeffs_gpu (int ngvec__, int const *gvec_shell__, int const *idx__, int idxmax__, acc_complex_double_t const *zilm__, int const *l_by_lm__, int lmmax__, double const *gc__, int ld0__, int ld1__, double const *gvec_rlm__, int ld2__, double const *ri_values__, int ld3__, int ld4__, double *q_pw__, int ld5__, double fourpi_omega__) |
| __global__ void | aug_op_pw_coeffs_deriv_gpu_kernel (int ngvec__, int const *gvec_shell__, double const *gvec_cart__, int const *idx__, int idxmax__, double const *gc__, int ld0__, int ld1__, double const *rlm__, double const *rlm_dg__, int ld2__, double const *ri_values__, double const *ri_dg_values__, int ld3__, int ld4__, double *q_pw__, int ld5__, double fourpi__, int nu__, int lmax_q__) |
| void | aug_op_pw_coeffs_deriv_gpu (int ngvec__, int const *gvec_shell__, double const *gvec_cart__, int const *idx__, int idxmax__, double const *gc__, int ld0__, int ld1__, double const *rlm__, double const *rlm_dg__, int ld2__, double const *ri_values__, double const *ri_dg_values__, int ld3__, int ld4__, double *q_pw__, int ld5__, double fourpi__, int nu__, int lmax_q__) |
CUDA kernels to generate augmentation operator and its derivative.
Definition in file augmentation_operator.cu.
| __global__ void aug_op_pw_coeffs_gpu_kernel | ( | int | ngvec__, |
| int const * | gvec_shell__, | ||
| int const * | idx__, | ||
| int | idxmax__, | ||
| acc_complex_double_t const * | zilm__, | ||
| int const * | l_by_lm__, | ||
| int | lmmax__, | ||
| double const * | gc__, | ||
| int | ld0__, | ||
| int | ld1__, | ||
| double const * | gvec_rlm__, | ||
| int | ld2__, | ||
| double const * | ri_values__, | ||
| int | ld3__, | ||
| int | ld4__, | ||
| double * | q_pw__, | ||
| int | ld5__, | ||
| double | fourpi_omega__ | ||
| ) |
Definition at line 32 of file augmentation_operator.cu.
| void aug_op_pw_coeffs_gpu | ( | int | ngvec__, |
| int const * | gvec_shell__, | ||
| int const * | idx__, | ||
| int | idxmax__, | ||
| acc_complex_double_t const * | zilm__, | ||
| int const * | l_by_lm__, | ||
| int | lmmax__, | ||
| double const * | gc__, | ||
| int | ld0__, | ||
| int | ld1__, | ||
| double const * | gvec_rlm__, | ||
| int | ld2__, | ||
| double const * | ri_values__, | ||
| int | ld3__, | ||
| int | ld4__, | ||
| double * | q_pw__, | ||
| int | ld5__, | ||
| double | fourpi_omega__ | ||
| ) |
Definition at line 62 of file augmentation_operator.cu.
| __global__ void aug_op_pw_coeffs_deriv_gpu_kernel | ( | int | ngvec__, |
| int const * | gvec_shell__, | ||
| double const * | gvec_cart__, | ||
| int const * | idx__, | ||
| int | idxmax__, | ||
| double const * | gc__, | ||
| int | ld0__, | ||
| int | ld1__, | ||
| double const * | rlm__, | ||
| double const * | rlm_dg__, | ||
| int | ld2__, | ||
| double const * | ri_values__, | ||
| double const * | ri_dg_values__, | ||
| int | ld3__, | ||
| int | ld4__, | ||
| double * | q_pw__, | ||
| int | ld5__, | ||
| double | fourpi__, | ||
| int | nu__, | ||
| int | lmax_q__ | ||
| ) |
Definition at line 77 of file augmentation_operator.cu.
| void aug_op_pw_coeffs_deriv_gpu | ( | int | ngvec__, |
| int const * | gvec_shell__, | ||
| double const * | gvec_cart__, | ||
| int const * | idx__, | ||
| int | idxmax__, | ||
| double const * | gc__, | ||
| int | ld0__, | ||
| int | ld1__, | ||
| double const * | rlm__, | ||
| double const * | rlm_dg__, | ||
| int | ld2__, | ||
| double const * | ri_values__, | ||
| double const * | ri_dg_values__, | ||
| int | ld3__, | ||
| int | ld4__, | ||
| double * | q_pw__, | ||
| int | ld5__, | ||
| double | fourpi__, | ||
| int | nu__, | ||
| int | lmax_q__ | ||
| ) |
Definition at line 119 of file augmentation_operator.cu.
1.9.3