ergo
|
#include <integrator.h>
Public Attributes | |
real(* | coor )[3] |
real * | weight |
real * | atv |
real | dfthri |
int | nsym |
int | shl_bl_cnt |
int | bas_bl_cnt [8] |
int(* | shlblocks )[2] |
int(* | basblocks )[2] |
int | ntypso |
int | london_off |
int | ndmat |
int | nbast |
union { | |
real * rho | |
struct { | |
real * a | |
real * b | |
} ho | |
} | r |
union { | |
real(* grad )[3] | |
struct { | |
real(* a )[3] | |
real((* b )[3] | |
} rad | |
} | g |
real | tgrad [3] |
int | curr_point |
real | curr_weight |
int | dogga |
int | needlap |
int | needgb |
real(* DftIntegratorBl_::a)[3] |
real((* DftIntegratorBl_::b)[3] |
int DftIntegratorBl_::bas_bl_cnt[8] |
int(* DftIntegratorBl_::basblocks)[2] |
real(* DftIntegratorBl_::coor)[3] |
Referenced by integrate_density_and_energy(), dft_integrator_bl_new(), dft_integrator_bl_free(), and dft_integrate().
Referenced by callbackGga(), callbackLda(), integrate_density_and_energy(), dft_integrate(), lin_resp_cb_b_lda(), and hessianCb().
Referenced by dft_integrator_bl_new().
Referenced by integrate_density_and_energy(), dft_integrator_bl_new(), and dft_integrate().
union { ... } DftIntegratorBl_::g |
real(* DftIntegratorBl_::grad)[3] |
Referenced by callbackGga(), dft_integrator_bl_new(), and dft_integrator_bl_free().
struct { ... } DftIntegratorBl_::ho |
Referenced by dft_integrator_bl_new().
Referenced by dft_integrator_bl_new().
Referenced by dft_integrator_bl_new().
Referenced by dft_integrator_bl_new().
Referenced by dft_integrator_bl_new().
Referenced by callbackGga(), callbackLda(), and dft_integrator_bl_new().
union { ... } DftIntegratorBl_::r |
struct { ... } DftIntegratorBl_::rad |
Referenced by integrate_density_and_energy(), compute_grid_thread_func(), dft_integrate(), and lin_resp_cb_b_lda().
int(* DftIntegratorBl_::shlblocks)[2] |