Module mopac

This module 'mopac' is auto-generated with f2py (version:2).
Functions:
  mopac_getdat(input,output,jobnam)
  error = mopac_main(inputname)
  mopac_init()
  setup_mopac_arrays(n,mode)
Fortran 90/95 modules:
  pysupport --- py_open(),py_close(),py_rewind(),foobar()  surfaces --- write_vis_file(),aos_on_grid(),volume_range(),multiply(),get_s_inv12(),plot_mos(),make_3d_grid(),get_bfnorm(),get_basis(),fact(),plot_3d_data()  charges_c --- q,q2,mulliken  properties_c --- sig_neg_alie,hardness,min_alie,mean_alea,local_pol_alea,eneg,sig_neg_esp,mean_pos_alea,elumo,minat_esp,minat_alea,maxat_alea,sig_tot_esp,mean_neg_alea,sig_neg_alea,max_esp,fn,sig_pos_esp,mean_pos_alie,elumo_b,sig_pos_alie,mean_esp,asp,mean_neg_esp,max_alie,maxat_esp,minat_alie,min_esp,balance_alie,asp_tot,sn_tot,min_alea,fe,maxat_alie,max_alea,mean_neg_alie,sr_tot,sig_pos_alea,local_pol_esp,se_tot,ehomo,balance_esp,mean_alie,sr,balance_alea,local_pol_alie,ehomo_b,sn,sig_tot_alie,mean_pos_esp,se,sig_tot_alea  esp_c --- dz_array,ipe,cc,ptd,cf,ce,pf1,pf0,pf2,exsr,cequiv,co,ipx,iam,cespm2,potpc,pmtd,potpt,cespm,tf,td,pce,qsc,cen,dz,dx,dy,ncc,is_esp,dex,u_esp,temp,ird,expn,den,dy_array,cespml,f0,rms,rad,iz,qesp,espi,ip,esp_array,ex,ind,ic,es,scale,idip,icd,f1,cesp,rrms,ewcy,ewcx,ewcz,pexs,rnai,fv,nesp,a2,ovl,npr,rnai2,rnai1,pexpn,dens,itemp,pewcx,pewcy,pewcz,fc,exs,indc,isc,b_esp,dx_array  molkst_c --- nalpha,nclose,errtxt,prevkeywrd,elect,rdummy,method_dorbs,title,koment,fract,cosine,moperrno_bad_input,utotal,uhf,natoms,nopen,dipole_esp_z,dipole_esp_y,dipole_esp_x,nvar,emin,moperrno_fatal,numcal,moperr,uy,ux,uz,n2elec,atheat,moperrno,nscf,efield,molchg,moperrno_ok,escf,limscf,nbeta,lm6,scfstatus_ok,keywrd,verson,gnorm,mpack,nelecs,norbs,time0,rjkab1,method_mndod,method,numat,ltxt,jobnam,isok,iflepo,dipole_esp,lm61,iscf,ndep,tleft,tdump,last,scfstatus_fail,maxatoms,step,method_pm3,method_rm1,enuclr,method_mndo,method_am1  parameters_c --- guess3,guess2,f4dd,ddp,ad,g3pd,zd,polvol,am,guess1,aq,zp,alp,zs,tore,pocord,hpp,f2pd,gss,dorbs,uss,zpn,gpp,po,natspd,natorb,f0dd,f2dd,dd,ios,eisol,iop,g2sd,g1pd,udd,ams,iod,npq,qq,gsp,eheat,betad,hsp,f0pd,natsp,zdn,betas,upp,betap,main_group,zsn,bfnorm,gp2,f0sd  permanent_arrays --- ch,xparam,cb,labels,mqn,dummy2,gmin1,uspd,lbf,pdiag,xparef,nlast,aicorr,loc,p,na,nb,nc,profil,dxyz,pa,nat,geoa,nw,zbf,nfirst,wk,wj,pqn,pb,fb,hesinv,hb,geo,atmass,dummy,c,f,eigs,h,coord,errfn,q,dxyz2,w,eigb,rdummy2,grad,gnext1  vast_kind_param --- extended,short_log,dble_complex,long_log,long,t_long,byte_log,ext_complex,short,t_double,byte,double,t_short,double_ext.