/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mao_optimizer.F | 144 CALL dbcsr_norm(mao_grad(ispin)%matrix, dbcsr_norm_maxabsnorm, norm_scalar=grad_norm) 158 CALL dbcsr_norm(mao_grad(ispin)%matrix, dbcsr_norm_maxabsnorm, norm_scalar=grad_norm)
|
H A D | iterate_matrix.F | 201 dbcsr_norm_maxabsnorm, norm_scalar=maxnorm) 377 dbcsr_norm_maxabsnorm, norm_scalar=maxnorm_matrix) 403 CALL dbcsr_norm(tmp1, dbcsr_norm_maxabsnorm, norm_scalar=maxnorm_matrix) 582 dbcsr_norm_maxabsnorm, norm_scalar=maxnorm_matrix) 1574 REAL(dp) :: factorial, norm_C, norm_D, norm_scalar local 1588 norm_scalar = ABS(alpha)*dbcsr_frobenius_norm(matrix) 1593 IF ((norm_scalar/2.0_dp**k) <= one) EXIT
|
H A D | almo_scf_optimizer.F | 213 norm_scalar=error_norm_ispin) 568 norm_scalar=error_norm) 1422 norm_scalar=grad_norm_spin(ispin)) 5069 norm_scalar=penalty_occ_vol_g_norm) 5071 norm_scalar=energy_g_norm) 5432 dbcsr_norm_maxabsnorm, norm_scalar=t_norm) 6337 norm_scalar=residue_max_norm(ispin)) 6486 norm_scalar=alpha) 6490 norm_scalar=alpha) 6493 norm_scalar=alpha) [all …]
|
H A D | ct_methods.F | 868 CALL dbcsr_norm(res, dbcsr_norm_maxabsnorm, norm_scalar=best_norm) 1123 CALL dbcsr_norm(res_trial, dbcsr_norm_maxabsnorm, norm_scalar=obj_function)
|
H A D | dm_ls_scf_curvy.F | 390 CALL dbcsr_norm(matrix_res, which_norm=2, norm_scalar=old_conv)
|
H A D | cp_dbcsr_operations.F | 795 norm_scalar=norm)
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mao_optimizer.F | 144 CALL dbcsr_norm(mao_grad(ispin)%matrix, dbcsr_norm_maxabsnorm, norm_scalar=grad_norm) 158 CALL dbcsr_norm(mao_grad(ispin)%matrix, dbcsr_norm_maxabsnorm, norm_scalar=grad_norm)
|
H A D | iterate_matrix.F | 208 dbcsr_norm_maxabsnorm, norm_scalar=maxnorm) 384 dbcsr_norm_maxabsnorm, norm_scalar=maxnorm_matrix) 410 CALL dbcsr_norm(tmp1, dbcsr_norm_maxabsnorm, norm_scalar=maxnorm_matrix) 589 dbcsr_norm_maxabsnorm, norm_scalar=maxnorm_matrix) 1828 REAL(dp) :: factorial, norm_C, norm_D, norm_scalar local 1842 norm_scalar = ABS(alpha)*dbcsr_frobenius_norm(matrix) 1847 IF ((norm_scalar/2.0_dp**k) <= one) EXIT
|
H A D | almo_scf_optimizer.F | 228 norm_scalar=error_norm_ispin) 583 norm_scalar=error_norm) 1490 norm_scalar=grad_norm_spin(ispin)) 2520 norm_scalar=grad_norm_spin(ispin)) 6166 norm_scalar=penalty_occ_vol_g_norm) 6168 norm_scalar=energy_g_norm) 7922 norm_scalar=alpha) 7926 norm_scalar=alpha) 7929 norm_scalar=alpha) 9033 norm_scalar=test_error) [all …]
|
H A D | ct_methods.F | 868 CALL dbcsr_norm(res, dbcsr_norm_maxabsnorm, norm_scalar=best_norm) 1123 CALL dbcsr_norm(res_trial, dbcsr_norm_maxabsnorm, norm_scalar=obj_function)
|
H A D | dm_ls_scf_curvy.F | 390 CALL dbcsr_norm(matrix_res, which_norm=2, norm_scalar=old_conv)
|
H A D | cp_dbcsr_operations.F | 789 norm_scalar=norm)
|
/dports/math/dbcsr/dbcsr-2.1.0/tests/ |
H A D | dbcsr_test_csr_conversions.F | 167 CALL dbcsr_norm(dbcsr_mat_conv, dbcsr_norm_maxabsnorm, norm_scalar=norm)
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/tests/ |
H A D | dbcsr_test_csr_conversions.F | 167 CALL dbcsr_norm(dbcsr_mat_conv, dbcsr_norm_maxabsnorm, norm_scalar=norm)
|
/dports/math/dbcsr/dbcsr-2.1.0/src/ |
H A D | dbcsr_api.F | 723 SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar) argument 727 REAL(dp), INTENT(OUT) :: norm_scalar local 729 CALL dbcsr_norm_scalar_prv(matrix%prv, which_norm, norm_scalar)
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ |
H A D | dbcsr_api.F | 728 SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar) argument 732 REAL(dp), INTENT(OUT) :: norm_scalar local 734 CALL dbcsr_norm_scalar_prv(matrix%prv, which_norm, norm_scalar)
|
/dports/math/dbcsr/dbcsr-2.1.0/src/ops/ |
H A D | dbcsr_operations.F | 2019 SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar) argument 2025 REAL(KIND=real_8), INTENT(OUT) :: norm_scalar local 2037 norm_scalar = dbcsr_frobenius_norm(matrix) 2039 norm_scalar = dbcsr_maxabs(matrix) 2041 norm_scalar = dbcsr_gershgorin_norm(matrix)
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ops/ |
H A D | dbcsr_operations.F | 2038 SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar) argument 2044 REAL(KIND=real_8), INTENT(OUT) :: norm_scalar local 2057 norm_scalar = dbcsr_frobenius_norm(matrix) 2059 norm_scalar = dbcsr_maxabs(matrix) 2061 norm_scalar = dbcsr_gershgorin_norm(matrix)
|