schrodinger.infra.mopac module

This module ‘mopac’ is auto-generated with f2py (version:1.24.2). Functions: Fortran 90/95 modules:

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() pysupport — py_open(),py_close(),py_rewind() molkst_c — maxatoms,natoms,numat,norbs,nelecs,molchg,ndep,nvar,nclose,nalpha,nbeta,nopen,numcal,mpack,n2elec,nscf,iscf,iflepo,last,lm61,lm6,moperrno,dummy,escf,emin,elect,enuclr,fract,gnorm,time0,tleft,tdump,verson,cosine,ux,uy,uz,utotal,dipole_esp_x,dipole_esp_y,dipole_esp_z,dipole_esp,step,rjkab1,atheat,efield,rdummy,moperr,uhf,isok,limscf,is_param,ltxt,jobnam,keywrd,koment,title,prevkeywrd,errtxt,method_mndo,method_am1,method_rm1,method_pm3,method_mndod,method_dorbs,method,moperrno_fatal,moperrno_ok,moperrno_bad_input,scfstatus_ok,scfstatus_fail vast_kind_param — byte_log,short_log,long_log,byte,short,long,double,extended,double_ext,dble_complex,ext_complex,t_short,t_long,t_double.