[molpro-user] Visualization of Molpro output files
peaking99 at gmail.com
Thu Jun 30 03:21:11 BST 2011
To molpro users,
I have a puzzle about how to visualize the lz and lzlz output of molpro,
which are electronic orbital angular momentum and two-electron angular
momentum of molecule.
In mlorp we can print them by EXPEC,lz,lzlz, but we cannot view them by
molden,gopenmol or moproview.
any suggestion are welcome!
thank you again:)
On Wed, Oct 15, 2008 at 12:02 PM, Grigoriy Zhurko <
reg_zhurko at chemcraftprog.com> wrote:
> The recent version of our program Chemcraft can visualize output files
> produced by Molpro. It can show geometries of Cartesian optimization steps,
> vibrational modes, SCF iterations, mulliken charges, dipole moments. Both
> Windows and Linux versions are available, but the Linux version has some
> disadvantages. The program is commercial.
> The program can be downloaded at our website:
> We appreciate any comments or suggestions concerning improvement of Molpro
> support by Chemcraft.
> Grigoriy Zhurko.
> Molpro-user mailing list
> Molpro-user at molpro.net
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