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[求助]
幫忙講解一下 文件的讀取
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幫忙講解一下 subroutine get_token(token, id) type(dtsets_list), pointer :: token integer, intent(in) :: id type(dtsets_list), pointer :: tmpLst if (AB_DBG) write(0,*) "AB module: request list element ", id nullify(token) tmpLst => my_dtsets do if (.not. associated(tmpLst)) then exit end if if (tmpLst%id == id .and. associated(tmpLst%dtsets)) then token => tmpLst return end if tmpLst => tmpLst%next end do end subroutine get_token 這個程序是怎么從id的這個文件讀取變量？能否講一下if中的意義？謝謝！ |
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snoopyzhao
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2樓2011-11-30 22:42:00
3樓2011-11-30 23:08:25
snoopyzhao
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4樓2011-11-30 23:19:53
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謝謝您！是要這個定義嗎？ type, private :: dtsets_list integer :: id type(dtsets_list), pointer :: next => null() type(dtsets_list), pointer :: prev => null() type(dataset_type), pointer :: dtsets(:) type(pspheader_type), pointer :: pspheads(:) integer :: mxgw_nqlwl, mxnatom, mxntypat, mxlpawu, mxmband_upper, mxnatpawu, & & mxnatsph, mxnconeq, mxnimage, mxnkptgw, mxnatvshift, & & mxnkpt, mxnnos, mxnqptdm, mxnsppol, mxnsym, mxnspinor, mxmband integer :: istatr, istatshft, dmatpuflag, papiopt, timopt end type dtsets_list 是不是還得知道dtsets(:)，pspheads(:)？ type(pspheader_type),pointer :: pspheads(:) type dataset_type integer :: accesswff integer :: awtr integer :: bandpp integer :: bdeigrf integer :: berryopt integer :: berrystep integer :: brvltt integer :: bs_nstates integer :: cd_use_tangrid integer :: bs_hayd_term integer :: chkexit integer :: chkprim integer :: chksymbreak integer :: delayperm integer :: dmatpuopt integer :: dmatudiag integer :: dmft_dc integer :: dmft_iter integer :: dmft_nwli integer :: dmft_nwlo integer :: dmft_rslf integer :: dmft_solv integer :: dmftbandi integer :: dmftbandf integer :: dmftcheck integer :: enunit integer :: exchn2n3d integer :: fftgw integer :: fft_opt_lob integer :: frzfermi integer :: getcell integer :: getddk integer :: getden integer :: getgam_eig2nkq integer :: getkss integer :: getocc integer :: getpawden integer :: getqps integer :: getscr integer :: getsuscep integer :: getvel integer :: getwfk integer :: getwfq integer :: getxcart integer :: getxred integer :: get1den integer :: get1wf integer :: getbseig integer :: getbsreso integer :: getbscoup integer :: gethaydock integer :: gw_eet integer :: gw_eet_nband integer :: gw_eet_inclvkb integer :: gwcalctyp integer :: gwcomp integer :: gwgamma integer :: gwrpacorr integer :: gw_nqlwl integer :: gw_nstep integer :: gw_sigxcore integer :: gwmem integer :: gwpara integer :: gw_sctype integer :: iboxcut integer :: icoulomb integer :: icutcoul integer :: idyson integer :: ieig2rf integer :: iextrapwf integer :: ikhxc integer :: imgmov integer :: inclvkb integer :: intexact integer :: intxc integer :: ionmov integer :: iprcch integer :: iprcel integer :: iprctfvw integer :: iprcfc integer :: irdddk integer :: irdden integer :: irdhaydock integer :: irdkss integer :: irdpawden integer :: irdqps integer :: irdscr integer :: irdsuscep integer :: irdwfk integer :: irdwfq integer :: ird1den integer :: ird1wf integer :: irdbseig integer :: irdbsreso integer :: irdbscoup integer :: iscf integer :: isecur integer :: istatr integer :: istatshft integer :: ixc integer :: ixcpositron integer :: jdtset ! jdtset contains the actual number of the dataset integer :: jellslab integer :: kptopt integer :: kssform integer :: ldgapp integer :: localrdwf integer :: maxnsym integer :: mband integer :: mffmem integer :: mgfft integer :: mgfftdg integer :: mkmem integer :: mkqmem integer :: mk1mem integer :: nnos integer :: mpw integer :: mqgrid integer :: mqgriddg integer :: natom integer :: natpawu integer :: natrd integer :: natsph integer :: natvshift integer :: nbandkss integer :: nbandsus integer :: nbdblock integer :: nbdbuf integer :: nberry integer :: nconeq integer :: nctime integer :: ndtset integer :: ndynimage integer :: ndyson integer :: nfft integer :: nfftdg integer :: nfreqim integer :: nfreqre integer :: nfreqsp integer :: nfreqsus integer :: diismemory integer :: ngroup_rf integer :: nimage integer :: nkptgw integer :: nkpt integer :: nline integer :: nnsclo integer :: nomegasf integer :: nomegasi integer :: nomegasrd integer :: npband integer :: npfft integer :: npimage integer :: npkpt integer :: npsp integer :: npspalch integer :: npulayit integer :: npweps integer :: npwkss integer :: npwsigx integer :: npwwfn integer :: nqpt integer :: nqptdm integer :: nscforder integer :: nsheps integer :: nshiftk integer :: nshsigx integer :: nshwfn integer :: nspden integer :: nspinor integer :: nsppol integer :: nstep integer :: nsym integer :: ntime integer :: ntimimage integer :: ntypalch integer :: ntypat integer :: ntyppure integer :: nwfshist integer :: occopt integer :: optcell integer :: optdriver integer :: optforces integer :: optfreqsus integer :: optnlxccc integer :: optstress integer :: ortalg integer :: paral_kgb integer :: paral_rf integer :: pawcpxocc integer :: pawfatbnd integer :: pawlcutd integer :: pawlmix integer :: pawmixdg integer :: pawnhatxc integer :: pawnphi integer :: pawntheta integer :: pawnzlm integer :: pawoptmix integer :: pawprtden integer :: pawprtdos integer :: pawprtvol integer :: pawprtwf integer :: pawprt_k integer :: pawprt_b integer :: pawspnorb integer :: pawstgylm integer :: pawusecp integer :: macro_uj integer :: pawujat integer :: pawxcdev integer :: pitransform integer :: positron integer :: posnstep integer :: ppmodel integer :: prepanl integer :: prepgkk integer :: prepscphon integer :: prtbbb integer :: prtbltztrp integer :: prtcif integer :: prtcml integer :: prtcs integer :: prtden integer :: prtdensph integer :: prtdipole integer :: prtdos integer :: prtdosm integer :: prtefg integer :: prteig integer :: prtelf integer :: prtfc integer :: prtfsurf integer :: prtgden integer :: prtgeo integer :: prtgkk integer :: prtkden integer :: prtkpt integer :: prtlden integer :: prtnabla integer :: prtnest integer :: prtpmp integer :: prtposcar integer :: prtpot integer :: prtspcur integer :: prtstm integer :: prtvha integer :: prtvhxc integer :: prtvol integer :: prtvxc integer :: prtwant integer :: prtwf integer :: prtxangst integer :: prtxcart integer :: prtxml integer :: prtxred integer :: prt1dm integer :: ptgroupma integer :: rdmnb integer :: random_atpos integer :: recgratio integer :: recnpath integer :: recnrec integer :: recptrott integer :: rectesteg integer :: restartxf integer :: rfasr integer :: rfddk integer :: rfelfd integer :: rfmeth integer :: rfphon integer :: rfstrs integer :: rfuser integer :: rf1elfd integer :: rf1phon integer :: rf2elfd integer :: rf2phon integer :: rf3elfd integer :: rf3phon integer :: signperm integer :: smdelta integer :: spgaxor integer :: spgorig integer :: spgroup integer :: spmeth integer :: suskxcrs integer :: symmorphi integer :: symchi integer :: symsigma integer :: td_mexcit integer :: tfkinfunc integer :: timopt integer :: tl_nprccg integer :: usedmatpu integer :: usedmft integer :: useexexch integer :: usekden integer :: usepaw integer :: usepawu integer :: userec integer :: useria integer :: userib integer :: useric integer :: userid integer :: userie integer :: usewvl integer :: usexcnhat integer :: useylm integer :: use_slk integer :: vacnum integer :: vdw_nfrag integer :: vdw_xc integer :: wfoptalg integer :: wvl_nprccg integer :: w90iniprj integer :: w90prtunk integer :: xclevel !Integer arrays integer :: bdberry(4) integer :: cd_subset_freq(2) integer :: kptrlatt(3,3) integer :: ngfft(18) integer :: ngfftdg(18) integer :: nloalg(5) integer :: qprtrb(3) integer :: rfatpol(2) integer :: rfdir(3) integer :: rf1atpol(2) integer :: rf1dir(3) integer :: rf2atpol(2) integer :: rf2dir(3) integer :: rf3atpol(2) integer :: rf3dir(3) integer :: scphon_supercell(3) integer :: supercell(3) integer :: vdw_supercell(3) integer :: vdw_typfrag(100) !Integer pointers integer, pointer :: algalch(:) ! algalch(ntypalch) integer, pointer :: bdgw(:,:,:) ! bdgw(2,nkptgw,nsppol) integer, pointer :: dynimage(:) ! dynimage(nimage or mxnimage) integer, pointer :: iatfix(:,:) ! iatfix(3,natom) integer, pointer :: iatsph(:) ! iatsph(natsph) integer, pointer :: istwfk(:) ! istwfk(nkpt) integer, pointer :: kberry(:,:) ! kberry(3,nberry) integer, pointer :: lexexch(:) ! lexexch(ntypat) integer, pointer :: lpawu(:) ! lpawu(ntypat) integer, pointer :: nband(:) ! nband(nkpt*nsppol) integer, pointer :: so_psp(:) ! so_psp(npsp) integer, pointer :: symafm(:) ! symafm(nsym) integer, pointer :: symrel(:,:,:) ! symrel(3,3,nsym) integer, pointer :: typat(:) ! typat(natom) !Real real(dp) :: bmass real(dp) :: boxcutmin real(dp) :: bxctmindg real(dp) :: cd_halfway_freq real(dp) :: cd_max_freq real(dp) :: charge real(dp) :: cpus real(dp) :: diecut real(dp) :: diegap real(dp) :: dielam real(dp) :: dielng real(dp) :: diemac real(dp) :: diemix real(dp) :: diemixmag real(dp) :: dilatmx real(dp) :: dmft_mxsf real(dp) :: dosdeltae real(dp) :: dtion real(dp) :: ecut real(dp) :: ecuteps real(dp) :: ecutsigx real(dp) :: ecutsm real(dp) :: ecutwfn real(dp) :: effmass real(dp) :: elph2_imagden real(dp) :: eshift real(dp) :: esmear real(dp) :: exchmix real(dp) :: fband real(dp) :: fixmom real(dp) :: freqremin real(dp) :: freqremax real(dp) :: freqspmax real(dp) :: freqsusin real(dp) :: freqsuslo real(dp) :: friction real(dp) :: fxcartfactor real(dp) :: gwencomp real(dp) :: gw_eet_scale real(dp) :: gw_toldfeig real(dp) :: kptnrm real(dp) :: kptrlen real(dp) :: mdftemp real(dp) :: mditemp real(dp) :: mdwall real(dp) :: nelect real(dp) :: noseinert real(dp) :: omegasimax real(dp) :: omegasrdmax real(dp) :: pawecutdg real(dp) :: pawovlp real(dp) :: pawujrad real(dp) :: pawujv real(dp) :: posocc real(dp) :: postoldfe real(dp) :: postoldff real(dp) :: ppmfrq real(dp) :: recrcut real(dp) :: recefermi real(dp) :: rectolden real(dp) :: rhoqpmix real(dp) :: rcut real(dp) :: sciss real(dp) :: scphon_temp real(dp) :: slabwsrad real(dp) :: slabzbeg real(dp) :: slabzend real(dp) :: soenergy real(dp) :: spbroad real(dp) :: spnorbscl real(dp) :: stmbias real(dp) :: strfact real(dp) :: strprecon real(dp) :: td_maxene real(dp) :: tl_radius real(dp) :: toldfe real(dp) :: toldff real(dp) :: tolimg real(dp) :: tolmxf real(dp) :: tolrff real(dp) :: tolsym real(dp) :: tolvrs real(dp) :: tolwfr real(dp) :: tphysel real(dp) :: tsmear real(dp) :: userra real(dp) :: userrb real(dp) :: userrc real(dp) :: userrd real(dp) :: userre real(dp) :: vacwidth real(dp) :: vis real(dp) :: wvl_hgrid real(dp) :: wvl_crmult real(dp) :: wvl_frmult real(dp) :: wvl_cpmult real(dp) :: wvl_fpmult real(dp) :: zcut !Real arrays real(dp) :: boxcenter(3) real(dp) :: bfield(3) real(dp) :: efield(3) real(dp) :: genafm(3) real(dp) :: qptn(3) real(dp) :: strtarget(6) real(dp) :: vcutgeo(3) real(dp) :: vprtrb(2) real(dp) :: zeemanfield(3) !Real pointers real(dp), pointer :: acell_orig(:,:) ! acell_orig(3,nimage) real(dp), pointer :: amu(:) ! amu(ntypat) real(dp), pointer :: atvshift(:,:,:) ! atvshift(16,nsppol,natom) real(dp), pointer :: corecs(:) ! corecs(ntypat) real(dp), pointer :: densty(:,:) ! densty(ntypat,4) real(dp), pointer :: dmatpawu(:,:,:,:) ! dmatpawu(2*lpawu+1,2*lpawu+1,nsppol*nspinor,natpu) ! where natpu=number of atoms with lpawu/=1 real(dp), pointer :: gw_qlwl(:,:) ! gw_qlwl(3,gw_nqlwl) real(dp), pointer :: jpawu(:) ! jpawu(ntypat) real(dp), pointer :: kpt(:,:) ! kpt(3,nkpt) real(dp), pointer :: kptgw(:,:) ! kptgw(3,nkptgw) real(dp), pointer :: kptns(:,:) ! kptns(3,nkpt) ! k-points renormalized and shifted. The ones that should be used inside the code. real(dp), pointer :: mixalch(:,:) ! mixalch(npspalch,ntypalch) real(dp), pointer :: occ_orig(:) ! occ_orig(mband*nkpt*nsppol) real(dp), pointer :: ptcharge(:) ! ptcharge(ntypat) real(dp), pointer :: qmass(:) ! qmass(nnos) real(dp), pointer :: qptdm(:,:) ! qptdm(3,nqptdm) real(dp), pointer :: quadmom(:) ! quadmom(ntypat) real(dp), pointer :: ratsph(:) ! ratsph(ntypat) real(dp), pointer :: rprim_orig(:,:,:) ! rprim_orig(3,3,nimage) real(dp), pointer :: rprimd_orig(:,:,:) ! rprimd_orig(3,3,nimage) real(dp), pointer :: shiftk(:,:) ! shiftk(3,nshiftk) real(dp), pointer :: spinat(:,:) ! spinat(3,natom) real(dp), pointer :: tnons(:,:) ! tnons(3,nsym) real(dp), pointer :: upawu(:) ! upawu(ntypat) real(dp), pointer :: vel_orig(:,:,:) ! vel_orig(3,natom,nimage) real(dp), pointer :: wtatcon(:,:,:) ! wtatcon(3,natom,nconeq) real(dp), pointer :: wtk(:) ! wtk(nkpt) real(dp), pointer :: xred_orig(:,:,:) ! xred_orig(3,natom,nimage) real(dp), pointer :: ziontypat(:) ! ziontypat(ntypat) real(dp), pointer :: znucl(:) ! znucl(npsp) !BEGIN VARIABLES FOR @Bethe-Salpeter integer :: bs_algorithm integer :: bs_haydock_niter integer :: bs_exchange_term integer :: bs_coulomb_term integer :: bs_calctype integer :: bs_coupling real(dp) :: bs_haydock_tol integer :: bs_eh_basis_set(2) real(dp) :: bs_eh_cutoff(3) real(dp) :: bs_freq_mesh(3) !END VARIABLES FOR @Bethe-Salpeter. ! Types type(wvl_internalVars_type) :: wvl end type dataset_type 這個 type pspheader_type ! WARNING : if you modify this datatype, please check whether there might be creation/destruction/copy routines, ! declared in another part of ABINIT, that might need to take into account your modification. integer :: nproj(0:3) ! number of scalar projectors for each angular momentum integer :: nprojso(3) ! number of spin-orbit projectors for each angular momentum integer :: lmax ! maximum l quantum number (-1 if only local) ! Example : s only -> lmax=0 ! s and p -> lmax=1 ! d only -> lmax=2 integer :: pspcod ! code number of the pseudopotential integer :: pspdat ! date of generation of the pseudopotential integer :: pspxc ! exchange-correlation functional integer :: pspso ! spin-orbit characteristics integer :: xccc ! =0 if no XC core correction, non-zero if XC core correction real(dp) :: zionpsp ! charge of the ion made of core electrons only real(dp) :: znuclpsp ! atomic number of the nuclei real(dp) :: GTHradii(0:4) ! Radii values for GTH (and HGH) family potentials character(len=fnlen) :: filpsp ! name of the psp file character(len=fnlen) :: title ! content of first line read from the psp file type(pspheader_paw_type) :: pawheader ! only for PAW psps. See above end type pspheader_type |
5樓2011-12-01 09:09:14
maomao1210
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6樓2011-12-01 09:14:38
maomao1210
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7樓2011-12-01 09:17:15
maomao1210
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【答案】應助回帖
★ ★ ★
余澤成(金幣+3): 辛苦了！ 2011-12-02 17:29:46
ben_ladeng: 專家考核存檔 2011-12-11 10:05:54
余澤成(金幣+3): 辛苦了！ 2011-12-02 17:29:46
ben_ladeng: 專家考核存檔 2011-12-11 10:05:54
|
我估計你的自定義類型desets_list應該是這樣的： type dtsets_list private type(dtset_list),pointer :: tmplst integer :: id **,pointer :: dtsets(  end type 那個do 循環(huán)，程序會從鏈表頭開始尋找，一級一級的往鏈表尾移動，移動到到某個鏈表節(jié)點的id 與輸入相同的時候，就把剩余的鏈表賦值給鏈表token，鏈表尾是個nullify空指針，圖片中的if那句保證了會跳出循環(huán)的。 明白了否？ |
8樓2011-12-01 09:32:49
maomao1210
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[考研] 0703化學調(diào)劑 +4 | 18889395102 2026-03-18 | 4/200 |
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[考研] 求調(diào)劑 +3 | Mqqqqqq 2026-03-19 | 3/150 |
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[考研] 274求調(diào)劑 +6 | S.H1 2026-03-18 | 6/300 |
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[考研] 331求調(diào)劑（0703有機化學 +7 | ZY-05 2026-03-13 | 8/400 |
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[考研] 304求調(diào)劑 +12 | 小熊joy 2026-03-14 | 13/650 |
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[考研] 268求調(diào)劑 +6 | 簡單點0 2026-03-17 | 6/300 |
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[基金申請] 被我言中：新模板不強調(diào)格式了，假專家開始管格式了 +4 | beefly 2026-03-14 | 4/200 |
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[考研] 274求調(diào)劑 +5 | 時間點 2026-03-13 | 5/250 |
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[考研] 318求調(diào)劑 +3 | Yanyali 2026-03-15 | 3/150 |
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[考研] 070303 總分349求調(diào)劑 +3 | LJY9966 2026-03-15 | 5/250 |
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[考研] 中科大材料與化工319求調(diào)劑 +3 | 孟鑫材料 2026-03-14 | 3/150 |
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[考研] 本科南京大學一志愿川大藥學327 +3 | 麥田耕者 2026-03-14 | 3/150 |
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[考研] 中科大材料專碩319求調(diào)劑 +3 | 孟鑫材料 2026-03-13 | 3/150 |
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[考研] 一志愿哈工大材料324分求調(diào)劑 +5 | 閆旭東 2026-03-14 | 5/250 |
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[考研] 266求調(diào)劑 +4 | 學員97LZgn 2026-03-13 | 4/200 |
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