qs_kpp1_env_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_kpp1_env_methods
	module that builds the second order perturbation kernel kpp1 = delta_rho|_P delta_rho|_P E drho(P1) drho

Functions/Subroutines
subroutine, public	qs_kpp1_env_methods::kpp1_create (kpp1_env)
	allocates and initializes a kpp1_env
subroutine, public	qs_kpp1_env_methods::calc_kpp1 (rho1_xc, rho1, xc_section, lrigpw, qs_env, p_env, calc_forces, calc_virial, virial)
	...
subroutine, public	qs_kpp1_env_methods::kpp1_check_i_alloc (kpp1_env, qs_env, xc_section)
	checks that the intenal storage is allocated, and allocs it if needed