List of names for checkpoint entries
D. Sherrill 3/24/02

Label - calculation label
Nuclear charges - nuclear charges (double) for each atom
ICT Table - num_atoms * sizeof(int)
Shells per atom - num_atoms * sizeof(int)
Shells per ang. mom. - (max_angmom+1)*sizeof(int)
First shell per atom - num_atoms*sizeof(int)
Exponents - num_prims*sizeof(double)
Contraction coefficients - num_prims*MAXANGMOM*sizeof(double)
First primitive per shell - num_shells*sizeof(int)
Shell nucleus - num_shells*sizeof(int)
Shell ang. mom. - num_shells*sizeof(int)
Primitives per shell - num_shells*sizeof(int)
First AO per shell - num_shells*sizeof(int)
Irrep labels - array of irrep labels (one 4-char string per irrep)
Atom class - num_atoms*sizeof(int)
Symmetry block pointer - nirreps*sizeof(int)
Cartesian SO's per irrep - nirreps*sizeof(int)
AO Type Transmat - 3 * sizeof(double)
Shell transmat - nirreps * sizeof(int)
Atom labels - 8*sizeof(char)
Full atom labels - 8*sizeof(char)
SO's per irrep - nirreps*sizeof(int)
Symmetry label - 4*sizeof(char)
Atomic symm positions - num_atoms*sizeof(int)
Unique shell -> full shell map - num_unique_shells*sizeof(int)
SO->AO transmat - num_ao*sizeof(double)
SO->BF transmat - num_so*sizeof(double)
First BF per shell - num_shells*sizeof(int)
Unique atom -> full atom map - num_uniques*sizeof(int)
Cotton -> local map - nirreps*sizeof(int)
Z-matrix - num_entries*sizeof(struct z_entry)
Shells per am - (max_angmom+1)*sizeof(int)
AM -> canonical shell map -  num_shells*sizeof(int)
Transmat to reference frame - 9*sizeof(double)
Full cartesian geometry - 3*sizeof(double)*num_entries
Geometry - 3*sizeof(double)*num_atoms
Nuclear rep. energy - double
Num. unique atoms - int
Num. unique shells - int
Rotor type - int
Max. AM - int
Num. SO - int
Num. AO - int
Num. shells - int
Num. irreps - int
Num. primitives - int
Num. atoms - int
Num. entries - int
Num. HF irreps - number of irreps with nonzero number of orbitals
Mxcoef - int
Num. MO's - int
Iopen - int, ioff[num irreps w/ open shells] (- if twocon)
Reference - int
Phase check - int (1 if phase has been checked)
Total energy - the total energy
SCF energy - the SCF energy
MOs alpha - The alpha molecular orbital coefficients
MOs beta - The beta molecular orbital coefficients
Orbital energies alpha - orbital eigenvalues for alpha
Orbital energies beta - orbital eigenvalues for beta
HF irrep labels - irrep labels for irreps w/ >0 orbitals
Orbitals per HF irrep - orbitals per irrep w/ >0 orbitals
Closed shells per HF irrep - closed shells per irrep w/ >0 orbitals
Open shells per HF irrep - open shells per irrep w/ >0 orbitals
Alpha coupling coeffs - coupling coefficients (double) per ioff[n_open]
Beta coupling coeffs - coupling coefficients (double) per ioff[n_open]
Alpha Lagrangian - nx*sizeof(double)
Beta Lagrangian - nx*sizeof(double)


 
