I can't pinpoint when the change occurred but there is definitely a change. I found large intensity differences looking at an old version of the h2o_raman_3 test case vs. the current version.
The file release.notes.6.1 appeared at svn revision 21888.
Here's the old reference log file, introduced at revision 21120 : http://pastebin.com/jC0EG7x6
And the new reference log file, introduced at revision 23607: http://pastebin.com/Sr1HvR7V
Data from .normal file, 21120:
# freq [ 1/cm] S [Ang**4/amu]
------------------------------------------------------------
1 1591.50 0.8354
2 3680.21 115.5964
3 3783.86 28.4166
------------------------------------------------------------
1533.82 0.2982E-04
1536.13 0.3221E-04
1538.45 0.3490E-04
1540.76 0.3796E-04
1543.08 0.4143E-04
...
Data from .normal file, 23607:
# freq [ 1/cm] S [Ang**4/amu]
------------------------------------------------------------
1 1591.48 0.8353
2 3680.25 115.5960
3 3783.91 259483.9293
------------------------------------------------------------
1533.79 0.1541E-02
1536.11 0.1546E-02
1538.42 0.1552E-02
1540.74 0.1558E-02
1543.05 0.1565E-02
...
The .normal files start out similarly in both versions but intensities soon diverge wildly. I don't know if the values generated by newer code are a vast improvement or the opposite.
The first notable difference in the log files is that under each DFT Final Molecular Orbital Analysis the MO Center values printed are significantly different. The second is that under NWChem Dynamic CPHF Module output the number of equations solved and maximum subspace are different:
21120:
Iterative solution of linear equations
No. of variables 1740
No. of equations 3
Maximum subspace 30
23607:
Iterative solution of linear equations
No. of variables 870
No. of equations 3
Maximum subspace 33
In between the commits of the old and new reference .normal files there are a few possibly relevant commits that touch the Raman property code:
------------------------------------------------------------------------
r23263 | niri | 2012-12-09 10:38:17 -0800 (Sun, 09 Dec 2012) | 1 line
Changed paths:
M /trunk/src/property/CalcPerturbedTDPmat1.F
M /trunk/src/property/aor_r1_beta.F
M /trunk/src/property/aor_r1_beta_anl.F
M /trunk/src/property/aor_r1_tensor.F
M /trunk/src/property/aoresponse_driver_new.F
M /trunk/src/property/fiao_b1_movecs.F
M /trunk/src/property/fiao_f1_movecs.F
M /trunk/src/property/giao_b1_movecs.F
M /trunk/src/property/hnd_giaox_zora.F
M /trunk/src/property/hnd_gshift_zora.F
M /trunk/src/property/prop_input.F
M /trunk/src/property/prp.F
M /trunk/src/property/raman.F
M /trunk/src/property/raman_input.F
M /trunk/src/property/task_raman.F
response updates from Fredy
------------------------------------------------------------------------
r22112 | niri | 2012-03-08 18:16:15 -0800 (Thu, 08 Mar 2012) | 1 line
Changed paths:
M /trunk/src/property/prop_input.F
M /trunk/src/property/raman.F
M /trunk/src/property/task_raman.F
raman fixes for static polarizability
|