qs_environment_types Module Reference

Functions/Subroutines
subroutine, public	get_qs_env (qs_env, atomic_kind_set, qs_kind_set, cell, super_cell, cell_ref, use_ref_cell, kpoints, dft_control, mos, sab_orb, sab_all, qmmm, qmmm_periodic, sac_ae, sac_ppl, sac_lri, sap_ppnl, sab_vdw, sab_scp, sap_oce, sab_lrc, sab_se, sab_xtbe, sab_tbe, sab_core, sab_xb, sab_xtb_nonbond, sab_almo, sab_kp, sab_kp_nosym, particle_set, energy, force, matrix_h, matrix_h_im, matrix_ks, matrix_ks_im, matrix_vxc, run_rtp, rtp, matrix_h_kp, matrix_h_im_kp, matrix_ks_kp, matrix_ks_im_kp, matrix_vxc_kp, kinetic_kp, matrix_s_kp, matrix_w_kp, matrix_s_RI_aux_kp, matrix_s, matrix_s_RI_aux, matrix_w, matrix_p_mp2, matrix_p_mp2_admm, rho, rho_xc, pw_env, ewald_env, ewald_pw, active_space, mpools, input, para_env, blacs_env, scf_control, rel_control, kinetic, qs_charges, vppl, rho_core, rho_nlcc, rho_nlcc_g, ks_env, ks_qmmm_env, wf_history, scf_env, local_particles, local_molecules, distribution_2d, dbcsr_dist, molecule_kind_set, molecule_set, subsys, cp_subsys, oce, local_rho_set, rho_atom_set, task_list, task_list_soft, rho0_atom_set, rho0_mpole, rhoz_set, ecoul_1c, rho0_s_rs, rho0_s_gs, do_kpoints, has_unit_metric, requires_mo_derivs, mo_derivs, mo_loc_history, nkind, natom, nelectron_total, nelectron_spin, efield, neighbor_list_id, linres_control, xas_env, virial, cp_ddapc_env, cp_ddapc_ewald, outer_scf_history, outer_scf_ihistory, x_data, et_coupling, dftb_potential, results, se_taper, se_store_int_env, se_nddo_mpole, se_nonbond_env, admm_env, lri_env, lri_density, exstate_env, ec_env, dispersion_env, gcp_env, vee, rho_external, external_vxc, mask, mp2_env, bs_env, kg_env, WannierCentres, atprop, ls_scf_env, do_transport, transport_env, v_hartree_rspace, s_mstruct_changed, rho_changed, potential_changed, forces_up_to_date, mscfg_env, almo_scf_env, gradient_history, variable_history, embed_pot, spin_embed_pot, polar_env, mos_last_converged, rhs)
	Get the QUICKSTEP environment. More...
subroutine, public	set_qs_env (qs_env, super_cell, mos, qmmm, qmmm_periodic, ewald_env, ewald_pw, mpools, rho_external, external_vxc, mask, scf_control, rel_control, qs_charges, ks_env, ks_qmmm_env, wf_history, scf_env, active_space, input, oce, rho_atom_set, rho0_atom_set, rho0_mpole, run_rtp, rtp, rhoz_set, rhoz_tot, ecoul_1c, has_unit_metric, requires_mo_derivs, mo_derivs, mo_loc_history, efield, linres_control, xas_env, cp_ddapc_env, cp_ddapc_ewald, outer_scf_history, outer_scf_ihistory, x_data, et_coupling, dftb_potential, se_taper, se_store_int_env, se_nddo_mpole, se_nonbond_env, admm_env, ls_scf_env, do_transport, transport_env, lri_env, lri_density, exstate_env, ec_env, dispersion_env, gcp_env, mp2_env, bs_env, kg_env, force, kpoints, WannierCentres, almo_scf_env, gradient_history, variable_history, embed_pot, spin_embed_pot, polar_env, mos_last_converged, rhs)
	Set the QUICKSTEP environment. More...
subroutine, public	qs_env_create (qs_env, globenv)
	allocates and intitializes a qs_env More...
subroutine, public	qs_env_release (qs_env)
	releases the given qs_env (see doc/ReferenceCounting.html) More...
subroutine, public	qs_env_part_release (qs_env)
	releases part of the given qs_env in order to save memory More...

Detailed Description

History

• mo_set_p_type added to qs_env (23.04.02,MK)
• qs_force_type added to qs_env (05.06.02,MK)

Author

MK (23.01.2002)

Function/Subroutine Documentation

get_qs_env()

subroutine, public qs_environment_types::get_qs_env	(	type(qs_environment_type), intent(in)	qs_env,
		type(atomic_kind_type), dimension(:), optional, pointer	atomic_kind_set,
		type(qs_kind_type), dimension(:), optional, pointer	qs_kind_set,
		type(cell_type), optional, pointer	cell,
		type(cell_type), optional, pointer	super_cell,
		type(cell_type), optional, pointer	cell_ref,
		logical, optional	use_ref_cell,
		type(kpoint_type), optional, pointer	kpoints,
		type(dft_control_type), optional, pointer	dft_control,
		type(mo_set_type), dimension(:), optional, pointer	mos,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_orb,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_all,
		logical, optional	qmmm,
		logical, optional	qmmm_periodic,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sac_ae,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sac_ppl,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sac_lri,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sap_ppnl,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_vdw,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_scp,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sap_oce,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_lrc,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_se,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_xtbe,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_tbe,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_core,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_xb,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_xtb_nonbond,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_almo,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_kp,
		type(neighbor_list_set_p_type), dimension(:), optional, pointer	sab_kp_nosym,
		type(particle_type), dimension(:), optional, pointer	particle_set,
		type(qs_energy_type), optional, pointer	energy,
		type(qs_force_type), dimension(:), optional, pointer	force,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_h,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_h_im,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_ks,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_ks_im,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_vxc,
		logical, optional	run_rtp,
		type(rt_prop_type), optional, pointer	rtp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_h_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_h_im_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_ks_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_ks_im_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_vxc_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	kinetic_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_s_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_w_kp,
		type(dbcsr_p_type), dimension(:, :), optional, pointer	matrix_s_RI_aux_kp,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_s,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_s_RI_aux,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_w,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_p_mp2,
		type(dbcsr_p_type), dimension(:), optional, pointer	matrix_p_mp2_admm,
		type(qs_rho_type), optional, pointer	rho,
		type(qs_rho_type), optional, pointer	rho_xc,
		type(pw_env_type), optional, pointer	pw_env,
		type(ewald_environment_type), optional, pointer	ewald_env,
		type(ewald_pw_type), optional, pointer	ewald_pw,
		type(active_space_type), optional, pointer	active_space,
		type(qs_matrix_pools_type), optional, pointer	mpools,
		type(section_vals_type), optional, pointer	input,
		type(mp_para_env_type), optional, pointer	para_env,
		type(cp_blacs_env_type), optional, pointer	blacs_env,
		type(scf_control_type), optional, pointer	scf_control,
		type(rel_control_type), optional, pointer	rel_control,
		type(dbcsr_p_type), dimension(:), optional, pointer	kinetic,
		type(qs_charges_type), optional, pointer	qs_charges,
		type(pw_r3d_rs_type), optional, pointer	vppl,
		type(pw_c1d_gs_type), optional, pointer	rho_core,
		type(pw_r3d_rs_type), optional, pointer	rho_nlcc,
		type(pw_c1d_gs_type), optional, pointer	rho_nlcc_g,
		type(qs_ks_env_type), optional, pointer	ks_env,
		type(qs_ks_qmmm_env_type), optional, pointer	ks_qmmm_env,
		type(qs_wf_history_type), optional, pointer	wf_history,
		type(qs_scf_env_type), optional, pointer	scf_env,
		type(distribution_1d_type), optional, pointer	local_particles,
		type(distribution_1d_type), optional, pointer	local_molecules,
		type(distribution_2d_type), optional, pointer	distribution_2d,
		type(dbcsr_distribution_type), optional, pointer	dbcsr_dist,
		type(molecule_kind_type), dimension(:), optional, pointer	molecule_kind_set,
		type(molecule_type), dimension(:), optional, pointer	molecule_set,
		type(qs_subsys_type), optional, pointer	subsys,
		type(cp_subsys_type), optional, pointer	cp_subsys,
		type(oce_matrix_type), optional, pointer	oce,
		type(local_rho_type), optional, pointer	local_rho_set,
		type(rho_atom_type), dimension(:), optional, pointer	rho_atom_set,
		type(task_list_type), optional, pointer	task_list,
		type(task_list_type), optional, pointer	task_list_soft,
		type(rho0_atom_type), dimension(:), optional, pointer	rho0_atom_set,
		type(rho0_mpole_type), optional, pointer	rho0_mpole,
		type(rhoz_type), dimension(:), optional, pointer	rhoz_set,
		type(ecoul_1center_type), dimension(:), optional, pointer	ecoul_1c,
		type(pw_r3d_rs_type), optional, pointer	rho0_s_rs,
		type(pw_c1d_gs_type), optional, pointer	rho0_s_gs,
		logical, optional	do_kpoints,
		logical, optional	has_unit_metric,
		logical, optional	requires_mo_derivs,
		type(dbcsr_p_type), dimension(:), optional, pointer	mo_derivs,
		type(cp_fm_type), dimension(:), optional, pointer	mo_loc_history,
		integer, optional	nkind,
		integer, optional	natom,
		integer, optional	nelectron_total,
		integer, dimension(2), optional	nelectron_spin,
		type(efield_berry_type), optional, pointer	efield,
		integer, optional	neighbor_list_id,
		type(linres_control_type), optional, pointer	linres_control,
		type(xas_environment_type), optional, pointer	xas_env,
		type(virial_type), optional, pointer	virial,
		type(cp_ddapc_type), optional, pointer	cp_ddapc_env,
		type(cp_ddapc_ewald_type), optional, pointer	cp_ddapc_ewald,
		real(kind=dp), dimension(:, :), optional, pointer	outer_scf_history,
		integer, intent(out), optional	outer_scf_ihistory,
		type(hfx_type), dimension(:, :), optional, pointer	x_data,
		type(et_coupling_type), optional, pointer	et_coupling,
		type(qs_dftb_pairpot_type), dimension(:, :), optional, pointer	dftb_potential,
		type(cp_result_type), optional, pointer	results,
		type(se_taper_type), optional, pointer	se_taper,
		type(semi_empirical_si_type), optional, pointer	se_store_int_env,
		type(nddo_mpole_type), optional, pointer	se_nddo_mpole,
		type(fist_nonbond_env_type), optional, pointer	se_nonbond_env,
		type(admm_type), optional, pointer	admm_env,
		type(lri_environment_type), optional, pointer	lri_env,
		type(lri_density_type), optional, pointer	lri_density,
		type(excited_energy_type), optional, pointer	exstate_env,
		type(energy_correction_type), optional, pointer	ec_env,
		type(qs_dispersion_type), optional, pointer	dispersion_env,
		type(qs_gcp_type), optional, pointer	gcp_env,
		type(pw_r3d_rs_type), optional, pointer	vee,
		type(qs_rho_type), optional, pointer	rho_external,
		type(pw_r3d_rs_type), optional, pointer	external_vxc,
		type(pw_r3d_rs_type), optional, pointer	mask,
		type(mp2_type), optional, pointer	mp2_env,
		type(post_scf_bandstructure_type), optional, pointer	bs_env,
		type(kg_environment_type), optional, pointer	kg_env,
		type(wannier_centres_type), dimension(:), optional, pointer	WannierCentres,
		type(atprop_type), optional, pointer	atprop,
		type(ls_scf_env_type), optional, pointer	ls_scf_env,
		logical, optional	do_transport,
		type(transport_env_type), optional, pointer	transport_env,
		type(pw_r3d_rs_type), optional, pointer	v_hartree_rspace,
		logical, optional	s_mstruct_changed,
		logical, optional	rho_changed,
		logical, optional	potential_changed,
		logical, optional	forces_up_to_date,
		type(molecular_scf_guess_env_type), optional, pointer	mscfg_env,
		type(almo_scf_env_type), optional, pointer	almo_scf_env,
		real(kind=dp), dimension(:, :), optional, pointer	gradient_history,
		real(kind=dp), dimension(:, :), optional, pointer	variable_history,
		type(pw_r3d_rs_type), optional, pointer	embed_pot,
		type(pw_r3d_rs_type), optional, pointer	spin_embed_pot,
		type(polar_env_type), optional, pointer	polar_env,
		type(mo_set_type), dimension(:), optional, pointer	mos_last_converged,
		real(kind=dp), dimension(:), optional, pointer	rhs
	)

Get the QUICKSTEP environment.

Parameters

qs_env	...
atomic_kind_set	...
qs_kind_set	...
cell	...
super_cell	...
cell_ref	...
use_ref_cell	...
kpoints	...
dft_control	...
mos	...
sab_orb	...
sab_all	...
qmmm	...
qmmm_periodic	...
sac_ae	...
sac_ppl	...
sac_lri	...
sap_ppnl	...
sab_vdw	...
sab_scp	...
sap_oce	...
sab_lrc	...
sab_se	...
sab_xtbe	...
sab_tbe	...
sab_core	...
sab_xb	...
sab_xtb_nonbond	...
sab_almo	...
sab_kp	...
sab_kp_nosym	...
particle_set	...
energy	...
force	...
matrix_h	...
matrix_h_im	...
matrix_ks	...
matrix_ks_im	...
matrix_vxc	...
run_rtp	...
rtp	...
matrix_h_kp	...
matrix_h_im_kp	...
matrix_ks_kp	...
matrix_ks_im_kp	...
matrix_vxc_kp	...
kinetic_kp	...
matrix_s_kp	...
matrix_w_kp	...
matrix_s_RI_aux_kp	...
matrix_s	...
matrix_s_RI_aux	...
matrix_w	...
matrix_p_mp2	...
matrix_p_mp2_admm	...
rho	...
rho_xc	...
pw_env	...
ewald_env	...
ewald_pw	...
active_space	...
mpools	...
input	...
para_env	...
blacs_env	...
scf_control	...
rel_control	...
kinetic	...
qs_charges	...
vppl	...
rho_core	...
rho_nlcc	...
rho_nlcc_g	...
ks_env	...
ks_qmmm_env	...
wf_history	...
scf_env	...
local_particles	...
local_molecules	...
distribution_2d	...
dbcsr_dist	...
molecule_kind_set	...
molecule_set	...
subsys	...
cp_subsys	...
oce	...
local_rho_set	...
rho_atom_set	...
task_list	...
task_list_soft	...
rho0_atom_set	...
rho0_mpole	...
rhoz_set	...
ecoul_1c	...
rho0_s_rs	...
rho0_s_gs	...
do_kpoints	...
has_unit_metric	...
requires_mo_derivs	...
mo_derivs	...
mo_loc_history	...
nkind	...
natom	...
nelectron_total	...
nelectron_spin	...
efield	...
neighbor_list_id	...
linres_control	...
xas_env	...
virial	...
cp_ddapc_env	...
cp_ddapc_ewald	...
outer_scf_history	...
outer_scf_ihistory	...
x_data	...
et_coupling	...
dftb_potential	...
results	...
se_taper	...
se_store_int_env	...
se_nddo_mpole	...
se_nonbond_env	...
admm_env	...
lri_env	...
lri_density	...
exstate_env	...
ec_env	...
dispersion_env	...
gcp_env	...
vee	...
rho_external	...
external_vxc	...
mask	...
mp2_env	...
bs_env	...
kg_env	...
WannierCentres	...
atprop	...
ls_scf_env	...
do_transport	...
transport_env	...
v_hartree_rspace	...
s_mstruct_changed	...
rho_changed	...
potential_changed	...
forces_up_to_date	...
mscfg_env	...
almo_scf_env	...
gradient_history	...
variable_history	...
embed_pot	...
spin_embed_pot	...
polar_env	...
mos_last_converged	... [SGh]
rhs	...

Date

23.01.2002

Author

MK

Version

1.0

Definition at line 476 of file qs_environment_types.F.

Here is the call graph for this function:

set_qs_env()

subroutine, public qs_environment_types::set_qs_env	(	type(qs_environment_type), intent(inout)	qs_env,
		type(cell_type), optional, pointer	super_cell,
		type(mo_set_type), dimension(:), optional, pointer	mos,
		logical, optional	qmmm,
		logical, optional	qmmm_periodic,
		type(ewald_environment_type), optional, pointer	ewald_env,
		type(ewald_pw_type), optional, pointer	ewald_pw,
		type(qs_matrix_pools_type), optional, pointer	mpools,
		type(qs_rho_type), optional, pointer	rho_external,
		type(pw_r3d_rs_type), optional, pointer	external_vxc,
		type(pw_r3d_rs_type), optional, pointer	mask,
		type(scf_control_type), optional, pointer	scf_control,
		type(rel_control_type), optional, pointer	rel_control,
		type(qs_charges_type), optional, pointer	qs_charges,
		type(qs_ks_env_type), optional, pointer	ks_env,
		type(qs_ks_qmmm_env_type), optional, pointer	ks_qmmm_env,
		type(qs_wf_history_type), optional, pointer	wf_history,
		type(qs_scf_env_type), optional, pointer	scf_env,
		type(active_space_type), optional, pointer	active_space,
		type(section_vals_type), optional, pointer	input,
		type(oce_matrix_type), optional, pointer	oce,
		type(rho_atom_type), dimension(:), optional, pointer	rho_atom_set,
		type(rho0_atom_type), dimension(:), optional, pointer	rho0_atom_set,
		type(rho0_mpole_type), optional, pointer	rho0_mpole,
		logical, optional	run_rtp,
		type(rt_prop_type), optional, pointer	rtp,
		type(rhoz_type), dimension(:), optional, pointer	rhoz_set,
		real(dp), optional	rhoz_tot,
		type(ecoul_1center_type), dimension(:), optional, pointer	ecoul_1c,
		logical, optional	has_unit_metric,
		logical, optional	requires_mo_derivs,
		type(dbcsr_p_type), dimension(:), optional, pointer	mo_derivs,
		type(cp_fm_type), dimension(:), optional, pointer	mo_loc_history,
		type(efield_berry_type), optional, pointer	efield,
		type(linres_control_type), optional, pointer	linres_control,
		type(xas_environment_type), optional, pointer	xas_env,
		type(cp_ddapc_type), optional, pointer	cp_ddapc_env,
		type(cp_ddapc_ewald_type), optional, pointer	cp_ddapc_ewald,
		real(kind=dp), dimension(:, :), optional, pointer	outer_scf_history,
		integer, intent(in), optional	outer_scf_ihistory,
		type(hfx_type), dimension(:, :), optional, pointer	x_data,
		type(et_coupling_type), optional, pointer	et_coupling,
		type(qs_dftb_pairpot_type), dimension(:, :), optional, pointer	dftb_potential,
		type(se_taper_type), optional, pointer	se_taper,
		type(semi_empirical_si_type), optional, pointer	se_store_int_env,
		type(nddo_mpole_type), optional, pointer	se_nddo_mpole,
		type(fist_nonbond_env_type), optional, pointer	se_nonbond_env,
		type(admm_type), optional, pointer	admm_env,
		type(ls_scf_env_type), optional, pointer	ls_scf_env,
		logical, optional	do_transport,
		type(transport_env_type), optional, pointer	transport_env,
		type(lri_environment_type), optional, pointer	lri_env,
		type(lri_density_type), optional, pointer	lri_density,
		type(excited_energy_type), optional, pointer	exstate_env,
		type(energy_correction_type), optional, pointer	ec_env,
		type(qs_dispersion_type), optional, pointer	dispersion_env,
		type(qs_gcp_type), optional, pointer	gcp_env,
		type(mp2_type), optional, pointer	mp2_env,
		type(post_scf_bandstructure_type), optional, pointer	bs_env,
		type(kg_environment_type), optional, pointer	kg_env,
		type(qs_force_type), dimension(:), optional, pointer	force,
		type(kpoint_type), optional, pointer	kpoints,
		type(wannier_centres_type), dimension(:), optional, pointer	WannierCentres,
		type(almo_scf_env_type), optional, pointer	almo_scf_env,
		real(kind=dp), dimension(:, :), optional, pointer	gradient_history,
		real(kind=dp), dimension(:, :), optional, pointer	variable_history,
		type(pw_r3d_rs_type), optional, pointer	embed_pot,
		type(pw_r3d_rs_type), optional, pointer	spin_embed_pot,
		type(polar_env_type), optional, pointer	polar_env,
		type(mo_set_type), dimension(:), optional, pointer	mos_last_converged,
		real(kind=dp), dimension(:), optional, pointer	rhs
	)

Set the QUICKSTEP environment.

Parameters

qs_env	...
super_cell	...
mos	...
qmmm	...
qmmm_periodic	...
ewald_env	...
ewald_pw	...
mpools	...
rho_external	...
external_vxc	...
mask	...
scf_control	...
rel_control	...
qs_charges	...
ks_env	...
ks_qmmm_env	...
wf_history	...
scf_env	...
active_space	...
input	...
oce	...
rho_atom_set	...
rho0_atom_set	...
rho0_mpole	...
run_rtp	...
rtp	...
rhoz_set	...
rhoz_tot	...
ecoul_1c	...
has_unit_metric	...
requires_mo_derivs	...
mo_derivs	...
mo_loc_history	...
efield	...
linres_control	...
xas_env	...
cp_ddapc_env	...
cp_ddapc_ewald	...
outer_scf_history	...
outer_scf_ihistory	...
x_data	...
et_coupling	...
dftb_potential	...
se_taper	...
se_store_int_env	...
se_nddo_mpole	...
se_nonbond_env	...
admm_env	...
ls_scf_env	...
do_transport	...
transport_env	...
lri_env	...
lri_density	...
exstate_env	...
ec_env	...
dispersion_env	...
gcp_env	...
mp2_env	...
bs_env	...
kg_env	...
force	...
kpoints	...
WannierCentres	...
almo_scf_env	...
gradient_history	...
variable_history	...
embed_pot	...
spin_embed_pot	...
polar_env	...
mos_last_converged	... [SGh]
rhs	...

Date

23.01.2002

Author

MK

Version

1.0

Definition at line 1019 of file qs_environment_types.F.

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qs_env_create()

subroutine, public qs_environment_types::qs_env_create	(	type(qs_environment_type), intent(out)	qs_env,
		type(global_environment_type), optional, pointer	globenv
	)

allocates and intitializes a qs_env

Parameters

qs_env	the object to create
globenv	...

History

12.2002 created [fawzi]

Author

Fawzi Mohamed

Definition at line 1350 of file qs_environment_types.F.

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qs_env_release()

subroutine, public qs_environment_types::qs_env_release

(

type(qs_environment_type), intent(inout)

qs_env

)

releases the given qs_env (see doc/ReferenceCounting.html)

Parameters

qs_env

the object to release

History

12.2002 created [fawzi] 06.2018 polar_env added (MK)

Author

Fawzi Mohamed

Definition at line 1365 of file qs_environment_types.F.

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qs_env_part_release()

subroutine, public qs_environment_types::qs_env_part_release

(

type(qs_environment_type), intent(inout)

qs_env

)

releases part of the given qs_env in order to save memory

Parameters

qs_env

the object to release

History

04.2022 created [JGH]

Definition at line 1594 of file qs_environment_types.F.

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