LCOV - code coverage report

Current view: top level - shared/libpaw/src - m_paw_atom_solve.F90 (source / functions) Coverage Total Hit Test: coverage.info Lines: 62.4 % 6137 3832 Test Date: 2026-09-20 15:27:41 Functions: 75.2 % 145 109

Function Name	Hit count
__m_paw_atom_solve_MOD___copy_m_paw_atom_solve_Atompaw_type	0
__m_paw_atom_solve_MOD___copy_m_paw_atom_solve_Atompaw_type	0
__m_paw_atom_solve_MOD___copy_m_paw_atom_solve_Mesh_data_type	0
__m_paw_atom_solve_MOD___final_m_paw_atom_solve_Atompaw_type	0
__m_paw_atom_solve_MOD___final_m_paw_atom_solve_Mesh_data_type	0
__m_paw_atom_solve_MOD_altdtij	12
__m_paw_atom_solve_MOD_altkinetic	2230
__m_paw_atom_solve_MOD_anderson_mix	331
__m_paw_atom_solve_MOD_aofec	356482
__m_paw_atom_solve_MOD_atompaw_destroy	4
__m_paw_atom_solve_MOD_atompaw_init	4
__m_paw_atom_solve_MOD_atompaw_poisson	25
__m_paw_atom_solve_MOD_atompaw_solve	19
__m_paw_atom_solve_MOD_azeroexpand	18142
__m_paw_atom_solve_MOD_backward_numerov	5131
__m_paw_atom_solve_MOD_besselps	0
__m_paw_atom_solve_MOD_boundd	206
__m_paw_atom_solve_MOD_boundnumerov	446
__m_paw_atom_solve_MOD_boundsplinesolver	0
__m_paw_atom_solve_MOD_boundsr	248
__m_paw_atom_solve_MOD_build_mesh_data	1
__m_paw_atom_solve_MOD_calc_kij	2
__m_paw_atom_solve_MOD_cfdsol	5
__m_paw_atom_solve_MOD_cfdsoliter	70260
__m_paw_atom_solve_MOD_classicalturningpoint	40052
__m_paw_atom_solve_MOD_conthomas	25
__m_paw_atom_solve_MOD_copyorbit	358
__m_paw_atom_solve_MOD_copypot	354
__m_paw_atom_solve_MOD_countnodes	35362
__m_paw_atom_solve_MOD_cubspl	0
__m_paw_atom_solve_MOD_ddexp	827568
__m_paw_atom_solve_MOD_ddlog	960271
__m_paw_atom_solve_MOD_deallocatesplinesolver	4
__m_paw_atom_solve_MOD_deltakinetic_ij	36
__m_paw_atom_solve_MOD_denitersub	0
__m_paw_atom_solve_MOD_derivative	15426
__m_paw_atom_solve_MOD_destroy_mesh_data	1
__m_paw_atom_solve_MOD_destroygrid	8
__m_paw_atom_solve_MOD_destroyorbit	728
__m_paw_atom_solve_MOD_destroypaw	8
__m_paw_atom_solve_MOD_destroypot	716
__m_paw_atom_solve_MOD_dirachwfn	40010
__m_paw_atom_solve_MOD_doandersonmix	23
__m_paw_atom_solve_MOD_dzeroexpand	17220
__m_paw_atom_solve_MOD_eliminate_comment	169
__m_paw_atom_solve_MOD_evaluatetp	971
__m_paw_atom_solve_MOD_exch	377
__m_paw_atom_solve_MOD_extractword	30
__m_paw_atom_solve_MOD_extrapolate	5853
__m_paw_atom_solve_MOD_fillhat	0
__m_paw_atom_solve_MOD_filter	13881
__m_paw_atom_solve_MOD_findgridindex	40085
__m_paw_atom_solve_MOD_findh	4
__m_paw_atom_solve_MOD_findh_given_r0	0
__m_paw_atom_solve_MOD_findvlocfromveff	0
__m_paw_atom_solve_MOD_firstderiv	35786
__m_paw_atom_solve_MOD_forward_numerov	5210
__m_paw_atom_solve_MOD_freeanderson	23
__m_paw_atom_solve_MOD_gammafunc	120030
__m_paw_atom_solve_MOD_get_exc	354
__m_paw_atom_solve_MOD_get_kincoul	354
__m_paw_atom_solve_MOD_get_nuclearpotential	4
__m_paw_atom_solve_MOD_get_xc_alias	0
__m_paw_atom_solve_MOD_get_xc_data	0
__m_paw_atom_solve_MOD_getwfnfromcfdsol	36031
__m_paw_atom_solve_MOD_getwfnfromcfdsold	34234
__m_paw_atom_solve_MOD_gfirstderiv	35784
__m_paw_atom_solve_MOD_gsecondderiv	2
__m_paw_atom_solve_MOD_hatl	0
__m_paw_atom_solve_MOD_hwfn	66017
__m_paw_atom_solve_MOD_initanderson_dr	23
__m_paw_atom_solve_MOD_initexch	4
__m_paw_atom_solve_MOD_initgrid	4
__m_paw_atom_solve_MOD_initgridwithn	0
__m_paw_atom_solve_MOD_initorbit	362
__m_paw_atom_solve_MOD_initpaw	4
__m_paw_atom_solve_MOD_initpot	358
__m_paw_atom_solve_MOD_initpotforsplinesolver	0
__m_paw_atom_solve_MOD_initsplinesolver	0
__m_paw_atom_solve_MOD_input_dataset_read	4
__m_paw_atom_solve_MOD_integrator	61574
__m_paw_atom_solve_MOD_interpfunc	0
__m_paw_atom_solve_MOD_jbessel	0
__m_paw_atom_solve_MOD_kummer	74017
__m_paw_atom_solve_MOD_ldagga_scf	23
__m_paw_atom_solve_MOD_ldaggasub	354
__m_paw_atom_solve_MOD_linsol	3920
__m_paw_atom_solve_MOD_logofterm	712964
__m_paw_atom_solve_MOD_makebasis_marsman	2
__m_paw_atom_solve_MOD_marsman_tphi	7
__m_paw_atom_solve_MOD_mkname	6
__m_paw_atom_solve_MOD_nderiv	15426
__m_paw_atom_solve_MOD_newboundsch	446
__m_paw_atom_solve_MOD_nonncps	0
__m_paw_atom_solve_MOD_orbit_init	4
__m_paw_atom_solve_MOD_overint	61574
__m_paw_atom_solve_MOD_overlap	54317
__m_paw_atom_solve_MOD_pbefunc	362220
__m_paw_atom_solve_MOD_poisson_marc	354
__m_paw_atom_solve_MOD_potential_init	23
__m_paw_atom_solve_MOD_prepare_orbit	4
__m_paw_atom_solve_MOD_prepareforcfdsol	36031
__m_paw_atom_solve_MOD_prepareforcfdsold	34234
__m_paw_atom_solve_MOD_print_check_atompaw_params	4
__m_paw_atom_solve_MOD_pwldafunc	0
__m_paw_atom_solve_MOD_r2scanfun	0
__m_paw_atom_solve_MOD_r2scaninit	0
__m_paw_atom_solve_MOD_radialexcpbe	230
__m_paw_atom_solve_MOD_read_inputstring	4
__m_paw_atom_solve_MOD_real_inssort	0
__m_paw_atom_solve_MOD_scfatom	23
__m_paw_atom_solve_MOD_secondderiv	2
__m_paw_atom_solve_MOD_set_pot	0
__m_paw_atom_solve_MOD_setbasis	2
__m_paw_atom_solve_MOD_setcoretail	18
__m_paw_atom_solve_MOD_sethat	2
__m_paw_atom_solve_MOD_setpawoptions2	2
__m_paw_atom_solve_MOD_setupforcfdsol	0
__m_paw_atom_solve_MOD_shapebes	0
__m_paw_atom_solve_MOD_smoothcore	18
__m_paw_atom_solve_MOD_smoothpower	0
__m_paw_atom_solve_MOD_solvbes	0
__m_paw_atom_solve_MOD_solveaxeqbm	18
__m_paw_atom_solve_MOD_specialinterp	0
__m_paw_atom_solve_MOD_storetoccwfn	2
__m_paw_atom_solve_MOD_stripchar	6
__m_paw_atom_solve_MOD_taufromwfn	3214
__m_paw_atom_solve_MOD_troullier	2
__m_paw_atom_solve_MOD_unboundked	0
__m_paw_atom_solve_MOD_unboundsch	13
__m_paw_atom_solve_MOD_unboundsr	5
__m_paw_atom_solve_MOD_updatewfn	371
__m_paw_atom_solve_MOD_updatewfnwden	0
__m_paw_atom_solve_MOD_uppercase	20
__m_paw_atom_solve_MOD_wfndasym	17014
__m_paw_atom_solve_MOD_wfndinit	17220
__m_paw_atom_solve_MOD_wfnend	10262
__m_paw_atom_solve_MOD_wfninit	5210
__m_paw_atom_solve_MOD_wfnkedinit	0
__m_paw_atom_solve_MOD_wfnsrasym	17889
__m_paw_atom_solve_MOD_wfnsrinit	18142
__m_paw_atom_solve_MOD_xmloutput	0
__m_paw_atom_solve_MOD_xmlprtcore	1
__m_paw_atom_solve_MOD_zeropot	403
interp_and_filter.0	0
match_on_splgrid.1	0

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