      Release Notes for ACESIII version 3.0.5

1. Modify compiler to support new format execute command: execute <array> <tag>, where tag is a floating point constant.  Modified the list_to_blocks command to allow a tag argument to be decoded.  Modified the read_list_to_blocks command to read arrays off the BLOCKDATA file in the order given by tags, if specified.

2. Added symcor capcbility.  Fixed jobflow detection code to allow automatic selection of SIAL_PROGRAM parameters to perform numerical and analytical frequency calculations.  Also properly selects jobflows based on use of the GRAD_CALC=NUMERICAL and VIB=FINDIF parameters.

3. Added check for ECP parameter.  Job will abort if ECP=ON is coded.

4. New SCF programs: scf_aguess.sial, scf_rhf_aguess.sial, and scf_uhf_aguess.sial.

5. Bug fix: Certain vebrational frequency jobs crashed when restarting in SCF, due to not having the FLAGS array read in from JOBARC.  This is now fixed.

6. Bug fix: If a SCF run failed to converge, it exited and the following SIAL program crashed due to the server code not being properly initialized.  This has now been fixed.

7. The maximum number of orbitals supported in the joda/geopt/symcor code within ACESIII has been increased from 255 to 1000.  This allows the capability to perform geometry optimizations/finite difference frequency calculations on larger jobs.


