Searched refs:inv_Hess (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | optimize_embedding_potential.F | 1980 SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) argument
1982 inv_Hess local
1991 CALL cp_fm_get_info(matrix=inv_Hess, &
1994 CALL cp_fm_set_all(inv_Hess, 0.0_dp)
1995 CALL cp_fm_to_fm(prev_inv_Hess, inv_Hess)
2052 CALL cp_fm_scale_and_add(1.0_dp, inv_Hess, factor1, s_s)
2068 CALL cp_fm_scale_and_add(1.0_dp, inv_Hess, -s_dot_y, B_inv_y_s)
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | optimize_embedding_potential.F | 1980 SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) argument
1982 inv_Hess local
1991 CALL cp_fm_get_info(matrix=inv_Hess, &
1994 CALL cp_fm_set_all(inv_Hess, 0.0_dp)
1995 CALL cp_fm_to_fm(prev_inv_Hess, inv_Hess)
2052 CALL cp_fm_scale_and_add(1.0_dp, inv_Hess, factor1, s_s)
2068 CALL cp_fm_scale_and_add(1.0_dp, inv_Hess, -s_dot_y, B_inv_y_s)
|