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