cp_eri_mme_interface.F File Reference

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Data Types
interface	cp_eri_mme_interface::cp_eri_mme_set_params
type	cp_eri_mme_interface::cp_eri_mme_param

Modules
module	cp_eri_mme_interface
	Interface to Minimax-Ewald method for periodic ERI's to be used in CP2K.

Functions/Subroutines
subroutine, public	cp_eri_mme_interface::create_eri_mme_section (section, default_n_minimax)
	Create main input section.
subroutine, public	cp_eri_mme_interface::cp_eri_mme_init_read_input (mme_section, param)
	Read input and initialize parameter type.
subroutine, public	cp_eri_mme_interface::cp_eri_mme_finalize (param)
	Release eri mme data. Prints some statistics on summation methods chosen.
subroutine, public	cp_eri_mme_interface::create_eri_mme_test_section (section)
	Create input section for unit testing.
subroutine, public	cp_eri_mme_interface::cp_eri_mme_update_local_counts (param, para_env, g_count_2c, r_count_2c, gg_count_3c, gr_count_3c, rr_count_3c)
	Update local counters to gather statistics on different paths taken in MME algorithm (each Ewald sum can be performed over direct or reciprocal lattice vectors)
subroutine, public	cp_eri_mme_interface::cp_eri_mme_perf_acc_test (para_env, iw, eri_mme_test_section)
	...