From b8c12c4bc7464968c14e829ec166814e13cfb4c6 Mon Sep 17 00:00:00 2001 From: q-posev Date: Mon, 2 May 2022 17:51:41 +0200 Subject: [PATCH] Remove generated file from Git --- python/pyqmckl_include.i | 96 ---------------------------------------- 1 file changed, 96 deletions(-) delete mode 100644 python/pyqmckl_include.i diff --git a/python/pyqmckl_include.i b/python/pyqmckl_include.i deleted file mode 100644 index beafb48..0000000 --- a/python/pyqmckl_include.i +++ /dev/null @@ -1,96 +0,0 @@ -%apply int *OUTPUT { int64_t* const num }; -%apply int *OUTPUT { int64_t* const num }; -%apply float *OUTPUT { double* const rescale_factor_kappa }; -%apply float *OUTPUT { double* const energy }; -%apply int *OUTPUT { int64_t* const num }; -%apply int *OUTPUT { int64_t* const up_num }; -%apply int *OUTPUT { int64_t* const down_num }; -%apply int *OUTPUT { int64_t* const walk_num }; -%apply float *OUTPUT { double* const rescale_factor_kappa_ee }; -%apply float *OUTPUT { double* const rescale_factor_kappa_en }; -%apply float *OUTPUT { double* const distance }; -%apply float *OUTPUT { double* const distance_rescaled }; -%apply float *OUTPUT { double* const distance_rescaled_deriv_e }; -%apply float *OUTPUT { double* const ee_pot }; -%apply float *OUTPUT { double* distance }; -%apply float *OUTPUT { double* distance_rescaled }; -%apply float *OUTPUT { double* distance_rescaled_deriv_e }; -%apply float *OUTPUT { double* const en_pot }; -%apply int *OUTPUT { int64_t* const shell_num }; -%apply int *OUTPUT { int64_t* const prim_num }; -%apply int *OUTPUT { int64_t* const ao_num }; -%apply int *OUTPUT { int64_t* mo_num }; -%apply float *OUTPUT { double* const mo_vgl }; -%apply float *OUTPUT { double* const det_vgl_alpha }; -%apply float *OUTPUT { double* const det_vgl_beta }; -%apply float *OUTPUT { double* const det_inv_matrix_alpha }; -%apply float *OUTPUT { double* const det_inv_matrix_beta }; -%apply float *OUTPUT { double* const det_adj_matrix_alpha }; -%apply float *OUTPUT { double* const det_adj_matrix_beta }; -%apply float *OUTPUT { double* const det_adj_matrix_alpha }; -%apply float *OUTPUT { double* const det_adj_matrix_beta }; -%apply int *OUTPUT { int64_t* const aord_num }; -%apply int *OUTPUT { int64_t* const bord_num }; -%apply int *OUTPUT { int64_t* const bord_num }; -%apply int *OUTPUT { int64_t* const type_nucl_num }; -%apply int *OUTPUT { int64_t* const dim_cord_vect }; -%apply float *OUTPUT { double* const cord_vect_full }; -%apply int *OUTPUT { int64_t* const lkpm_combined_index }; -%apply float *OUTPUT { double* const tmp_c }; -%apply float *OUTPUT { double* const dtmp_c }; -%apply float *OUTPUT { double* const kinetic_energy }; -%apply float *OUTPUT { double* const potential_energy }; -%apply float *OUTPUT { double* const local_energy }; -%apply float *OUTPUT { double* const drift_vector }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const coord,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const charge,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const coord,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* charge,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* coord,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* distance,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* distance_rescaled,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const coord,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { ( const double* coord , const int64_t size_max) }; -%apply ( int64_t* IN_ARRAY1 , int64_t DIM1 ) { (const int64_t* nucleus_index,const int64_t size_max) }; -%apply ( int64_t* IN_ARRAY1 , int64_t DIM1 ) { (const int64_t* nucleus_shell_num,const int64_t size_max) }; -%apply ( int32_t* IN_ARRAY1 , int64_t DIM1 ) { (const int32_t* shell_ang_mom,const int64_t size_max) }; -%apply ( int64_t* IN_ARRAY1 , int64_t DIM1 ) { (const int64_t* shell_prim_num,const int64_t size_max) }; -%apply ( int64_t* IN_ARRAY1 , int64_t DIM1 ) { (const int64_t* shell_prim_index,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* shell_factor,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* exponent,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* coefficient,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* prim_factor,const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { (const double* ao_factor,const int64_t size_max) }; -%apply ( int64_t* ARGOUT_ARRAY1 , int64_t DIM1 ) { (int64_t* const nucleus_shell_num,const int64_t size_max) }; -%apply ( int64_t* ARGOUT_ARRAY1 , int64_t DIM1 ) { (int64_t* const nucleus_index,const int64_t size_max) }; -%apply ( int32_t* ARGOUT_ARRAY1 , int64_t DIM1 ) { (int32_t* const shell_ang_mom,const int64_t size_max) }; -%apply ( int64_t* ARGOUT_ARRAY1 , int64_t DIM1 ) { (int64_t* const shell_prim_num,const int64_t size_max) }; -%apply ( int64_t* ARGOUT_ARRAY1 , int64_t DIM1 ) { (int64_t* const shell_prim_index,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const shell_factor,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const exponent,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const coefficient,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const prim_factor,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const ao_factor,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const primitive_vgl,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const shell_vgl,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const ao_vgl,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const ao_vgl,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const coefficient,const int64_t size_max) }; -%apply ( int64_t* ARGOUT_ARRAY1 , int64_t DIM1 ) { ( int64_t* const type_nucl_num , const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { ( double * const aord_vector , const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { ( double * const bord_vector , const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { ( double * const cord_vector , const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { ( const double * aord_vector , const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { ( const double * bord_vector , const int64_t size_max) }; -%apply ( double* IN_ARRAY1 , int64_t DIM1 ) { ( const double * cord_vector , const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const asymp_jasb,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const factor_ee,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const factor_ee_deriv_e,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const factor_en,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const factor_en_deriv_e,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const distance_rescaled,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const distance_rescaled,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const distance_rescaled,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const distance_rescaled,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const factor_een,const int64_t size_max) }; -%apply ( double* ARGOUT_ARRAY1 , int64_t DIM1 ) { (double* const factor_een_deriv_e,const int64_t size_max) };