(git:58e3e09)
lri_environment_types.F File Reference

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Modules

module  lri_environment_types
 contains the types and subroutines for dealing with the lri_env lri : local resolution of the identity
 

Functions/Subroutines

subroutine, public lri_environment_types::lri_env_create (lri_env)
 creates and initializes an lri_env More...
 
subroutine, public lri_environment_types::lri_env_release (lri_env)
 releases the given lri_env More...
 
subroutine, public lri_environment_types::lri_density_create (lri_density)
 creates and initializes an lri_density environment More...
 
subroutine, public lri_environment_types::lri_density_release (lri_density)
 releases the given lri_density More...
 
subroutine, public lri_environment_types::allocate_lri_ints (lri_env, lri_ints, nkind)
 allocate lri_ints, matrices that store LRI integrals More...
 
subroutine, public lri_environment_types::allocate_lri_ppl_ints (lri_env, lri_ppl_ints, atomic_kind_set)
 allocate lri_ppl_ints, matrices that store LRI integrals More...
 
subroutine, public lri_environment_types::allocate_lri_ints_rho (lri_env, lri_ints_rho, nkind)
 allocate lri_ints_rho, storing integral for the exact density More...
 
subroutine, public lri_environment_types::allocate_lri_rhos (lri_env, lri_rhos, nspin, nkind)
 creates and initializes lri_rhos More...
 
subroutine, public lri_environment_types::allocate_lri_coefs (lri_env, lri_density, atomic_kind_set)
 creates and initializes lri_coefs More...
 
subroutine, public lri_environment_types::allocate_lri_force_components (lri_force, nfa, nfb)
 creates and initializes lri_force More...
 
subroutine, public lri_environment_types::deallocate_bas_properties (lri_env)
 deallocates one-center overlap integrals, integral of ri basis and scon matrices More...
 
subroutine, public lri_environment_types::deallocate_lri_ints (lri_ints)
 deallocates the given lri_ints More...
 
subroutine, public lri_environment_types::deallocate_lri_ppl_ints (lri_ppl_ints)
 deallocates the given lri_ppl_ints More...
 
subroutine, public lri_environment_types::deallocate_lri_ints_rho (lri_ints_rho)
 deallocates the given lri_ints_rho More...
 
subroutine, public lri_environment_types::deallocate_lri_force_components (lri_force)
 releases the given lri_force_type More...