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subroutine, public | qs_rho_types::qs_rho_create (rho) |
| Allocates a new instance of rho. More...
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subroutine, public | qs_rho_types::qs_rho_release (rho_struct) |
| releases a rho_struct by decreasing the reference count by one and deallocating if it reaches 0 (to be called when you don't want anymore a shared copy) More...
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subroutine, public | qs_rho_types::qs_rho_clear (rho_struct) |
| Deallocates all components, without deallocating rho_struct itself. More...
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subroutine, public | qs_rho_types::qs_rho_unset_rho_ao (rho_struct) |
| Unsets the rho_ao / rho_ao_kp field without calling kpoint_transitional_release(). More...
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subroutine, public | qs_rho_types::qs_rho_get (rho_struct, rho_ao, rho_ao_im, rho_ao_kp, rho_ao_im_kp, rho_r, drho_r, rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, drho_g_valid, tau_r_valid, tau_g_valid, tot_rho_r, tot_rho_g, rho_r_sccs, soft_valid, complex_rho_ao) |
| returns info about the density described by this object. If some representation is not available an error is issued More...
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subroutine, public | qs_rho_types::qs_rho_set (rho_struct, rho_ao, rho_ao_im, rho_ao_kp, rho_ao_im_kp, rho_r, drho_r, rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, drho_g_valid, tau_r_valid, tau_g_valid, tot_rho_r, tot_rho_g, rho_r_sccs, soft_valid, complex_rho_ao) |
| ... More...
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subroutine, public | qs_rho_types::qs_rho_clear_pwpool (rho_struct, auxbas_pw_pool) |
| ... More...
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