Changeset 64fa9e for pcp/src/pseudo.c
- Timestamp:
- Apr 21, 2008, 2:19:24 PM (17 years ago)
- Children:
- e00f47
- Parents:
- 32de28
- git-author:
- Frederik Heber <heber@…> (04/18/08 14:51:49)
- git-committer:
- Frederik Heber <heber@…> (04/21/08 14:19:24)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
pcp/src/pseudo.c
r32de28 r64fa9e 678 678 struct Ions *I = &P->Ion; 679 679 struct Lattice *Lat = &P->Lat; 680 Free(PP->integrand1 );681 Free(PP->integrand );682 Free(PP->dfnl );683 Free(PP->rr );684 Free(PP->t );680 Free(PP->integrand1, "RemovePseudoRead: PP->integrand1"); 681 Free(PP->integrand, "RemovePseudoRead: PP->integrand"); 682 Free(PP->dfnl, "RemovePseudoRead: PP->dfnl"); 683 Free(PP->rr, "RemovePseudoRead: PP->rr"); 684 Free(PP->t, "RemovePseudoRead: PP->t"); 685 685 for (i=0; i< Lat->Psi.LocalNo+1; i++) { 686 686 for (it=0; it < I->Max_Types; it++) { 687 687 for (il =0; il < PP->lm_end[it]; il++) 688 Free(PP->fnl[i][it][il] );689 Free(PP->fnl[i][it] );690 } 691 Free(PP->fnl[i] );688 Free(PP->fnl[i][it][il], "RemovePseudoRead: PP->fnl[i][it][il]"); 689 Free(PP->fnl[i][it], "RemovePseudoRead: PP->fnl[i][it]"); 690 } 691 Free(PP->fnl[i], "RemovePseudoRead: PP->fnl[i]"); 692 692 } 693 693 for (it=0; it < I->Max_Types; it++) { 694 694 if (I->I[it].corecorr == CoreCorrected) { 695 Free(PP->corewave[it] );696 Free(PP->formfCore[it] );695 Free(PP->corewave[it], "RemovePseudoRead: PP->corewave[it]"); 696 Free(PP->formfCore[it], "RemovePseudoRead: PP->formfCore[it]"); 697 697 } 698 698 } 699 699 for (it=0; it < I->Max_Types; it++) { 700 700 for (il=0; il < PP->nang[it]; il++) { 701 Free(PP->R[it][il] );702 Free(PP->v_loc[it][il] );701 Free(PP->R[it][il], "RemovePseudoRead: PP->R[it][il]"); 702 Free(PP->v_loc[it][il], "RemovePseudoRead: PP->v_loc[it][il]"); 703 703 } 704 704 for (il=0; il < 3; il++) { 705 Free(PP->rcl[it][il] );706 Free(PP->al[it][il] );707 Free(PP->bl[it][il] );705 Free(PP->rcl[it][il], "RemovePseudoRead: PP->rcl[it][il]"); 706 Free(PP->al[it][il], "RemovePseudoRead: PP->al[it][il]"); 707 Free(PP->bl[it][il], "RemovePseudoRead: PP->bl[it][il]"); 708 708 } 709 709 for (il=0;il<PP->lm_end[it];il++) { 710 //Free(PP->phi_ps_nl[it][il] );711 Free(PP->phi_ps_nl[it][il] );710 //Free(PP->phi_ps_nl[it][il], "RemovePseudoRead: PP->phi_ps_nl[it][il]"); 711 Free(PP->phi_ps_nl[it][il], "RemovePseudoRead: PP->phi_ps_nl[it][il]"); 712 712 } 713 713 for (ia=0;ia<I->I[it].Max_IonsOfType;ia++) { 714 Free(PP->ei[it][ia] );715 Free(PP->expiGR[it][ia] );716 } 717 Free(PP->ei[it] );718 Free(PP->expiGR[it] );719 //Free(PP->phi_ps_nl[it] );720 Free(PP->phi_ps_nl[it] );721 Free(PP->R[it] );722 Free(PP->v_loc[it] );723 Free(PP->r[it] );724 Free(PP->integrand2[it] );725 Free(PP->rcl[it] );726 Free(PP->al[it] );727 Free(PP->bl[it] );728 Free(PP->FacGauss[it] );729 Free(PP->phi_ps_loc[it] );730 Free(PP->core[it] );731 Free(PP->rc[it] );732 Free(PP->wNonLoc[it] );733 } 734 //Free(PP->phi_ps_nl );735 Free(PP->phi_ps_nl );736 Free(PP->R );737 Free(PP->v_loc );738 Free(PP->r );739 Free(PP->integrand2 );740 Free(PP->rcl );741 Free(PP->al );742 Free(PP->bl );743 Free(PP->FacGauss );744 Free(PP->phi_ps_loc );745 Free(PP->core );746 Free(PP->rc );747 Free(PP->wNonLoc );748 Free(PP->ei );749 Free(PP->expiGR );750 Free(PP->corewave );751 Free(PP->formfCore );752 Free(PP->fnl );753 Free(PP->VCoulombc );754 Free(PP->lm_end );755 Free(PP->zval );756 Free(PP->nang );757 Free(PP->mmax );758 Free(PP->clog );714 Free(PP->ei[it][ia], "RemovePseudoRead: PP->ei[it][ia]"); 715 Free(PP->expiGR[it][ia], "RemovePseudoRead: PP->expiGR[it][ia]"); 716 } 717 Free(PP->ei[it], "RemovePseudoRead: PP->ei[it]"); 718 Free(PP->expiGR[it], "RemovePseudoRead: PP->expiGR[it]"); 719 //Free(PP->phi_ps_nl[it], "RemovePseudoRead: PP->phi_ps_nl[it]"); 720 Free(PP->phi_ps_nl[it], "RemovePseudoRead: PP->phi_ps_nl[it]"); 721 Free(PP->R[it], "RemovePseudoRead: PP->R[it]"); 722 Free(PP->v_loc[it], "RemovePseudoRead: PP->v_loc[it]"); 723 Free(PP->r[it], "RemovePseudoRead: PP->r[it]"); 724 Free(PP->integrand2[it], "RemovePseudoRead: PP->integrand2[it]"); 725 Free(PP->rcl[it], "RemovePseudoRead: PP->rcl[it]"); 726 Free(PP->al[it], "RemovePseudoRead: PP->al[it]"); 727 Free(PP->bl[it], "RemovePseudoRead: PP->bl[it]"); 728 Free(PP->FacGauss[it], "RemovePseudoRead: PP->FacGauss[it]"); 729 Free(PP->phi_ps_loc[it], "RemovePseudoRead: PP->phi_ps_loc[it]"); 730 Free(PP->core[it], "RemovePseudoRead: PP->core[it]"); 731 Free(PP->rc[it], "RemovePseudoRead: PP->rc[it]"); 732 Free(PP->wNonLoc[it], "RemovePseudoRead: PP->wNonLoc[it]"); 733 } 734 //Free(PP->phi_ps_nl, "RemovePseudoRead: PP->phi_ps_nl"); 735 Free(PP->phi_ps_nl, "RemovePseudoRead: PP->phi_ps_nl"); 736 Free(PP->R, "RemovePseudoRead: PP->R"); 737 Free(PP->v_loc, "RemovePseudoRead: PP->v_loc"); 738 Free(PP->r, "RemovePseudoRead: PP->r"); 739 Free(PP->integrand2, "RemovePseudoRead: PP->integrand2"); 740 Free(PP->rcl, "RemovePseudoRead: PP->rcl"); 741 Free(PP->al, "RemovePseudoRead: PP->al"); 742 Free(PP->bl, "RemovePseudoRead: PP->bl"); 743 Free(PP->FacGauss, "RemovePseudoRead: PP->FacGauss"); 744 Free(PP->phi_ps_loc, "RemovePseudoRead: PP->phi_ps_loc"); 745 Free(PP->core, "RemovePseudoRead: PP->core"); 746 Free(PP->rc, "RemovePseudoRead: PP->rc"); 747 Free(PP->wNonLoc, "RemovePseudoRead: PP->wNonLoc"); 748 Free(PP->ei, "RemovePseudoRead: PP->ei"); 749 Free(PP->expiGR, "RemovePseudoRead: PP->expiGR"); 750 Free(PP->corewave, "RemovePseudoRead: PP->corewave"); 751 Free(PP->formfCore, "RemovePseudoRead: PP->formfCore"); 752 Free(PP->fnl, "RemovePseudoRead: PP->fnl"); 753 Free(PP->VCoulombc, "RemovePseudoRead: PP->VCoulombc"); 754 Free(PP->lm_end, "RemovePseudoRead: PP->lm_end"); 755 Free(PP->zval, "RemovePseudoRead: PP->zval"); 756 Free(PP->nang, "RemovePseudoRead: PP->nang"); 757 Free(PP->mmax, "RemovePseudoRead: PP->mmax"); 758 Free(PP->clog, "RemovePseudoRead: PP->clog"); 759 759 } 760 760
Note:
See TracChangeset
for help on using the changeset viewer.