#include "cp_common_uses.h"
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Functions | |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE | cp_eval_at (gopt_env, x, f, gradient, master,&final_evaluation, para_env, error) USE cp_para_types |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE POINTER::gopt_env | REAL (KIND=dp) |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE POINTER::gopt_env | DIMENSION (:) |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE POINTER::gopt_env POINTER::x | INTENT (out) |
Variables | |
| !CP2K | __pad1__ |
| !CP2K | stopping |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE | ONLY |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE POINTER::gopt_env POINTER::x OPTIONAL::f | OPTIONAL |
| !CP2K see module cp_error_handling par History none author Teodoro Laino[tlaino] University of Zurich *****************************************************************************INTERFACE RECURSIVE SUBROUTINE POINTER::gopt_env POINTER::x OPTIONAL::f &POINTER::gradient | INTEGER |
Function Documentation
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE cp_eval_at | ( | gopt_env | , |
| x | , | ||
| f | , | ||
| gradient | , | ||
| master | , | ||
| & | final_evaluation, | ||
| para_env | , | ||
| error | |||
| ) |
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE POINTER :: gopt_env DIMENSION | ( | : | ) |
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE POINTER :: gopt_env POINTER :: x INTENT | ( | out | ) |
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE POINTER :: gopt_env REAL | ( | KIND | = dp | ) |
Referenced by md_conserved_quantities::compute_conserved_quantity(), library_tests::copy_test(), ctrig(), dbcsr_dist_operations::dbcsr_dist_bin(), qs_localization_methods::direct_mini(), library_tests::fft_test(), pw_methods::fft_wrap_pw1pw2(), pme_tools::get_center(), spme::get_delta(), extended_system_init::init_barostat_variables(), md_vel_utils::initialize_velocities(), qs_localization_methods::jacobi_rotations_serial(), library_tests::matmul_test(), integrator::nph_uniaxial(), integrator::nph_uniaxial_damped(), integrator::npt_f(), integrator::npt_i(), pw_methods::pw_axpy(), pw_grids::pw_grid_change(), pw_grids::pw_grid_print(), pw_grids::pw_grid_setup_internal(), integrator_utils::rescaled_vv_first(), realspace_grid_types::rs_grid_print(), se_ga_tools::se_ga_initialize(), se_ga_tools::se_ga_pair_list_init(), extended_system_init::set_yoshida_coef(), and pw_poisson_types::spme_coeff_calculate().
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Variable Documentation
| ! CP2K __pad1__ |
Definition at line 13 of file gopt_f77_methods.h.
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE POINTER :: gopt_env POINTER :: x OPTIONAL :: f & POINTER :: gradient INTEGER |
Definition at line 31 of file gopt_f77_methods.h.
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE ONLY |
Definition at line 25 of file gopt_f77_methods.h.
| ! CP2K see module cp_error_handling par History none author Teodoro Laino [tlaino] University of Zurich***************************************************************************** INTERFACE RECURSIVE SUBROUTINE POINTER :: gopt_env POINTER :: x OPTIONAL :: f OPTIONAL |
Definition at line 31 of file gopt_f77_methods.h.
| ! CP2K stopping |
Definition at line 13 of file gopt_f77_methods.h.
