Documentation for module qs_environment_methods

qs_environement methods that use many other modules

source: qs_environment_methods.F
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public Subroutines/Functions:

rebuilds the pw_env in the given qs_env, allocating it if necessary
SUBROUTINE
qs_env_setup (qs_env)
initializes various components of the qs_env, that need only atomic_kind_set, cell, dft_control, scf_control, c(i)%nmo, c(i)%nao, and particle_set to be initialized. The previous components of qs_env must be valid. Initializes pools, charges and pw_env.

SUBROUTINEqs_env_rebuild_pw_env(qs_env)

rebuilds the pw_env in the given qs_env, allocating it if necessary

Arguments:
POINTER
:: qs_env the qs_env whose pw_env has to be rebuilt

SUBROUTINEqs_env_setup(qs_env)

initializes various components of the qs_env, that need only atomic_kind_set, cell, dft_control, scf_control, c(i)%nmo, c(i)%nao, and particle_set to be initialized. The previous components of qs_env must be valid. Initializes pools, charges and pw_env.

Arguments:
POINTER
:: qs_env the qs_env to set up