1 subroutine dft_dump_info(me) 2c 3 implicit none 4c 5 integer i, me 6c 7#include "cdft.fh" 8c 9 write(*,*)' me = ',me 10c 11c Logicals 12c 13 write(*,*)' LOGICALS ' 14 write(*,*)' nodamping = ', nodamping 15 write(*,*)' nolevelshifting = ', nolevelshifting 16 write(*,*)' nodiis = ', nodiis 17 write(*,*)' ltight = ', ltight 18 write(*,*)' lmaxov = ', lmaxov 19 write(*,*)' incore = ', incore 20 write(*,*)' ldelley = ', ldelley 21 write(*,*)' store_wght = ', store_wght 22 write(*,*)' XCFIT = ', XCFIT 23 write(*,*)' CDFIT = ', CDFIT 24 write(*,*)' levelshift = ', levelshift 25 write(*,*)' damp = ', damp 26 write(*,*)' diis = ', diis 27 write(*,*)' direct = ', direct 28 write(*,*)' oskel = ', oskel 29 write(*,*)' oadapt = ', oadapt 30 write(*,*)' lcfac(i) = ', (lcfac(i),i=1,numfunc) 31 write(*,*)' nlcfac(i) = ', (nlcfac(i),i=1,numfunc) 32 write(*,*)' lxfac(i) = ', (lxfac(i),i=1,numfunc) 33 write(*,*)' nlxfac(i) = ', (nlxfac(i),i=1,numfunc) 34 write(*,*)' xccomb(i) = ', (xccomb(i),i=1,numfunc) 35c 36c Integers 37c 38 write(*,*)' INTEGERS ' 39 write(*,*)' iAOacc = ', iAOacc 40 write(*,*)' iCDacc = ', iXCacc 41 write(*,*)' iXCacc = ', iXCacc 42 write(*,*)' itol2e = ', itol2e 43 write(*,*)' imull = ', imull 44 write(*,*)' iangquad = ', iangquad 45 write(*,*)' iterations = ', iterations 46 write(*,*)' iguess = ', iguess 47 write(*,*)' mult = ', mult 48 write(*,*)' ipol = ', ipol 49 write(*,*)' nfock = ', nfock 50 write(*,*)' ncydp = ', ncydp 51 write(*,*)' ncysh = ', ncysh 52 write(*,*)' ncyds = ', ncyds 53 write(*,*)' noio = ', noio 54 write(*,*)' ndamp = ', ndamp 55 write(*,*)' idecomp = ', idecomp 56 write(*,*)' nagrid = ', nagrid 57 write(*,*)' nquad_task = ', nquad_task 58 write(*,*)' nrinc = ', nrinc 59 write(*,*)' nrmax = ', nrmax 60 write(*,*)' geom = ', geom 61 write(*,*)' ncenters = ', ncenters 62 write(*,*)' nbf = ', nbf 63 write(*,*)' nradpts = ', nradpts 64 write(*,*)' nang_leb_pts = ', nang_leb_pts 65 write(*,*)' nbf_ao = ', nbf_ao 66 write(*,*)' nbf_cd = ', nbf_cd 67 write(*,*)' nbf_xc = ', nbf_xc 68 write(*,*)' MXqshells = ', MXqshells 69 write(*,*)' MXrad = ', MXrad 70 write(*,*)' MXagrid = ', MXagrid 71 write(*,*)' MXtheta = ', MXtheta 72 write(*,*)' MXphi = ', MXphi 73 write(*,*)' IAC_MAX = ', IAC_MAX 74 write(*,*)' nqshells = ', nqshells 75 write(*,*)' iqrot = ', iqrot 76 write(*,*)' ntypes = ', ntypes 77 write(*,*)' nquad_task = ', nquad_task 78 write(*,*)' dft_ntags_bsmx = ', dft_ntags_bsmx 79 write(*,*)' dft_max_cent = ', dft_max_cent 80 write(*,*)' AO_bas_han = ', AO_bas_han 81 write(*,*)' CD_bas_han = ', CD_bas_han 82 write(*,*)' XC_bas_han = ', XC_bas_han 83 write(*,*)' nrad: ',(nrad(i), i = 1, dft_ntags_bsmx) 84 write(*,*)' nang: ',(nang(i), i = 1, dft_ntags_bsmx) 85c 86c Doubles 87c 88 write(*,*)' DOUBLES ' 89 write(*,*)' rlshift = ', rlshift 90 write(*,*)' dampon = ', dampon 91 write(*,*)' dampoff = ', dampoff 92 write(*,*)' levlon = ', levlon 93 write(*,*)' levloff = ', levloff 94 write(*,*)' diison = ', diison 95 write(*,*)' diisoff = ', diisoff 96 write(*,*)' rcharge = ', rcharge 97 write(*,*)' tol_rho = ', tol_rho 98 write(*,*)' cfac = ', (cfac(i),i=1,numfunc) 99 write(*,*)' xfac =', (xfac(i),i=1,numfunc) 100 write(*,*)' hl_tol = ', hl_tol 101 write(*,*)' e_conv = ', e_conv 102 write(*,*)' d_conv = ', d_conv 103 write(*,*)' g_conv = ', g_conv 104c 105c Characters 106c 107 write(*,*)' CHARACTERS ' 108 write(*,*)' title = ', title 109 write(*,*)' gridtype = ', gridtype 110 write(*,*)' xname = ', xname 111 write(*,*)' cname = ', cname 112c 113 return 114 end 115c $Id$ 116