Go to the source code of this file.
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subroutine, public | semi_empirical_utils::se_cutoff_compatible (se_control, se_section, cell, output_unit) |
| Reset cutoffs trying to be somehow a bit smarter. More...
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subroutine, public | semi_empirical_utils::initialize_se_taper (se_taper, coulomb, exchange, lr_corr) |
| Initializes the semi-empirical taper for a chunk calculation. More...
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subroutine, public | semi_empirical_utils::finalize_se_taper (se_taper) |
| Finalizes the semi-empirical taper for a chunk calculation. More...
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subroutine, public | semi_empirical_utils::init_se_param (sep, orb_basis_set, ngauss) |
| Initialize semi_empirical type. More...
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subroutine, public | semi_empirical_utils::se_param_set_default (sep, z, method) |
| Initialize parameter for a semi_empirival type. More...
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integer function, public | semi_empirical_utils::get_se_type (se_method) |
| Gives back the unique semi_empirical METHOD type. More...
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