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module | pao_param_exp |
| Original matrix exponential parametrization.
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subroutine, public | pao_param_exp::pao_param_init_exp (pao, qs_env) |
| Initialize matrix exponential parametrization. More...
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subroutine, public | pao_param_exp::pao_param_finalize_exp (pao) |
| Finalize exponential parametrization. More...
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subroutine, public | pao_param_exp::pao_param_count_exp (qs_env, ikind, nparams) |
| Returns the number of parameters for given atomic kind. More...
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subroutine, public | pao_param_exp::pao_param_initguess_exp (pao) |
| Fills matrix_X with an initial guess. More...
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subroutine, public | pao_param_exp::pao_calc_ab_exp (pao, qs_env, ls_scf_env, gradient) |
| Takes current matrix_X and calculates the matrices A and B. More...
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