550. Briefly: Getting ECCE to work with Gaussian 09 (G09) part 2: Geometry trace when using NoSymm

I've made a couple of posts about how to modify ECCE to work better in general, but in particular with Gaussian 09  (G09).

See here for some of the previous posts:
Adding new basis sets, part 1: http://verahill.blogspot.com.au/2013/06/455-adding-nwchem-basis-sets-to-ecce.html
Adding new basis sets, part 2:  http://verahill.blogspot.com.au/2013/06/456-adding-nwchem-basis-sets-to-ecce.html
Adding new exchange/correlation functionals:
http://verahill.blogspot.com.au/2013/12/533-adding-new-exchangecorrelation.html
Adding new options to ECCE
http://verahill.blogspot.com.au/2013/12/534-adding-new-options-to-ecce-adding.html
Getting ECCE to read frequency calc output from G09 calcs:
http://verahill.blogspot.com.au/2013/12/536-briefly-getting-ecce-to-work-with.html


Either way, I've noticed that when I'm using the NoSymm option during optimisation ECCE fails to import the geometries from the geometry steps.

No geometry trace option

What is even worse is that if you use an optimisation job like that as the basis for another job by selecting Duplicate Setup with Last Geometry ECCE will in fact use the starting geometry -- not the optimised one.

Luckily the fix is simple -- edit apps/parsers/gaussian-03.desc and add the following lines:

[GEOMTRACE]
Script=gaussian-03.geomtrace
Begin=Z-Matrix orientation\:
Skip=5
Frequency=all
End=--------------------------------------
[END]

You can now 'Reconnect job monitoring' also to your old jobs if you still have access to the run directory. Either way, the view will now be a sweet one:

Et voila: A geometry trace

549. Very briefly: Unexpected comment spam

I get about 2-3 spam comments on my blog per day. Typically they advertise money making schemes, email marketing schemes etc., and look something like this:

This site was... how do I say it? Relevant!! Finally I have found something that helped me. Kudos! Also visit my web site: minecraft 1.0

Today I got an odd one though and I'll post it here even though it kind of works in their favour:

 Anonymous has left a new comment on your post "341. Upgrading/installing BankID on 64 bit linux":

That was enjoyable to read, thanks for posting it.

My site: Bing (www.bing.com) 

I presume that spammers don't work for free, so someone must be paying them. Is Microsoft hiring less-than-reputable web marketing companies to do their bidding?

548. A lot has been happening with Kingsoft WPS

Seems like they have been making progress.

I wrote my original post about wps (also see this post) for version 8.1.0.3724, and on this site they are currently at 9.1.0.4244 -- Alpha 12, patch 3. Judging from all the bugs that have been fixed it seems that the devs have been quite busy. The short interval between different alpha version also indicates that the development is very active. Good stuff.

Basically, WPS is the only reasonable (subjective) solution for reading .docx files on linux that I've encountered.

Either way,if you have a previous version of wps installed, remove it

sudo apt-get autoremove wps-office:i386

Then get on with it:

mkdir ~/tmp
cd ~/tmp
sudo dpkg --add-architecture i386
sudo apt-get update
wget http://wdl.cache.ijinshan.com/wps/download/Linux/unstable/kingsoft-office_9.1.0.4244~a12p3_i386.deb
sudo dpkg -i kingsoft-office_9.1.0.4244~a12p3_i386.deb
sudo apt-get install -f

Missing fonts. Clicking on the link takes you indirectly to bbs.wpn.cn, which is in Chinese.

To sort out the fonts issue above you can join bbs.wpn.cn as shown in this post, then download the wps_symbol_fonts.zip file from this post. Install the fonts by doing

cp ~/Downloads/wps_symbol_fonts.zip ~/.fonts
cd ~/.fonts
unzip wps_symbol_fonts.zip

And start WPS. The 'symbol' issue should be solved. Either way, the look of WPS has been updated, and now it can handle my test file which even MS offerings are struggling with:

See here for a post where I compare different office suites using that file (older post): http://verahill.blogspot.com.au/2013/01/313-which-office-for-linux-users.html

To sort out mime types/file associations do

sudo update-desktop-database /usr/local/share/applications/
sudo update-mime-database /usr/share/mime/