input: Set up a PSI computation based on user input


Files

file  atom_num.cc
 Determine atomic number for atoms input by the user.
file  build_cart2pureang.cc
 Enter brief description of file here.
file  build_cdsalc.cc
 Enter brief description of file here.
file  build_so_classes.cc
 Enter brief description of file here.
file  build_transmat.cc
 Enter brief description of file here.
file  build_usotao.cc
 Enter brief description of file here.
file  correlate.cc
 Enter brief description of file here.
file  count_uniques.cc
 Enter brief description of file here.
file  input/defines.h
 Enter brief description of file here.
file  find_symmetry.cc
 Enter brief description of file here.
file  input/float.h
 Enter brief description of file here.
file  freeze_orbs.cc
 Enter brief description of file here.
file  functions.cc
 Enter brief description of file here.
file  input/global.h
 Enter brief description of file here.
file  globals.cc
 Enter brief description of file here.
file  input/gto.cc
 Enter brief description of file here.
file  init_elem_names.cc
 Enter brief description of file here.
file  input.cc
 Set up a PSI computation based on user input.
file  input.h
 Enter brief description of file here.
file  input.h
 Enter brief description of file here.
file  input.h
 Enter brief description of file here.
file  io.cc
 Enter brief description of file here.
file  input/linalg.cc
 Enter brief description of file here.
file  input/linalg.h
 Enter brief description of file here.
file  input/oe_osrr.cc
 Enter brief description of file here.
file  oe_osrr_float.cc
 Enter brief description of file here.
file  oldcalc.cc
 Enter brief description of file here.
file  bin/input/overlap.cc
 Enter brief description of file here.
file  overlap_float.cc
 Enter brief description of file here.
file  input/parsing.cc
 Enter brief description of file here.
file  projection.cc
 Enter brief description of file here.
file  read_basis.cc
 Enter brief description of file here.
file  read_cart.cc
 Enter brief description of file here.
file  read_charges.cc
 Enter brief description of file here.
file  read_chkpt.cc
 Enter brief description of file here.
file  read_geomdat.cc
 Enter brief description of file here.
file  read_zmat.cc
 Enter brief description of file here.
file  reorient.cc
 Enter brief description of file here.
file  sym_operations.cc
 Enter brief description of file here.
file  write_scf_to_chkpt.cc
 Enter brief description of file here.
file  write_to_chkpt.cc
 Enter brief description of file here.

Detailed Description


Generated on Wed Feb 13 16:36:15 2008 for PSI by  doxygen 1.5.4