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logical function, public | optimize_dmfet_potential::subsys_spin (qs_env) |
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subroutine, public | optimize_dmfet_potential::prepare_dmfet_opt (qs_env, opt_dmfet, opt_dmfet_section) |
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subroutine, public | optimize_dmfet_potential::release_dmfet_opt (opt_dmfet) |
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subroutine, public | optimize_dmfet_potential::build_full_dm (qs_env, dm, open_shell, open_shell_embed, dm_beta) |
| Builds density matrices from MO coefficients in full matrix format. More...
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subroutine, public | optimize_dmfet_potential::check_dmfet (opt_dmfet, qs_env) |
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