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6 Jan 2021: New mek-quake. From CUC3. This is a large cluster system to be used by the Wales and Vendruscolo groups.

6 Jan 2021: New project ideas. From Raspberry Pi in the Chemistry Library. Share your ideas for projects using Raspberry Pis here:.

6 Jan 2021: PATHSAMPLE. From CUC3. A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis. PATHSAMPLE is currently documented for two versions, 2.0 and 2.1. Tutorials. These tutorials are under

6 Jan 2021: We also welcome new project ideas and recommendations for extra modules.

6 Jan 2021: It is robust tool, especially if you are starting of with a new set of code.

6 Jan 2021: Catherine 14:50, 28 March 2006 (BST). There is now an RSS feed for the sector IT news, providing updates of the messages of the day for the workstations and clusters.

6 Jan 2021: Where to put them. One can go on the new backup server but the primary ought to be close to the workstations.

6 Jan 2021: Other IT stuff. From CUC3. Made this page so I can provide links to older IT pages and not clutter up the 'headlines' on the front page. Retrieved from "". Navigation menu. Personal tools. Namespaces. Variants. Views. More. Search. Navigation.

6 Jan 2021: 6. next step: creation new binary file points.min; you will need new pathdata file:. ... Still it is worthy to check where in fact both endpoints are placed in new database.

6 Jan 2021: Computer Office services. From CUC3. This has moved to the COs' wiki. COs only! And even more recently, this has gone public on (Raven password needed, but if you got here then you already have one). Retrieved from "". Navigation menu. Personal tools

6 Jan 2021: The ancient OpenPBS queueing system will be replaced with shiny new Torque (it'll look exactly the same to users, but work lots better behind the scenes).

6 Jan 2021: a symbolic link to the file's new location and leaving all other files untouched.

6 Jan 2021: DUMPINT 100 RESTORE GMIN.dump STEPS 15000 SAVE 100. The number of steps in the new data file should always be greater than in the original. ... In the new format, there is an extra line in the dump file which details the number of structures saved in the

6 Jan 2021: new 4-index integral is.

6 Jan 2021: Upgrading destiny. From CUC3. Destiny is to be upgraded to SuSE and at the same time have a new disk installed to give a bigger /scratch and /usr/local.

6 Jan 2021: As before, the calculations involve the new propagator module with the ALDAXCHF model. ... Compile on Tati with the new version of ifort and the ATLAS library.

6 Jan 2021: CamCASP/Programming/0. From CUC3. Status. Contents. Propagator. There have been major changes to the propagator modules. See Propagator for details. --alston 18:42, 5 May 2010 (BST). ENERGY-SCAN. What's working:. REDO_DF_ON_ROTATION =. TRUE. E1elst,

6 Jan 2021: This will copy all code in SVN_code into a new directory called nosvn. ... It is quite low-profile: files are only copied if a new commit has been made and diffs are only generated for new commits.

6 Jan 2021: To create a new /.svndiffrc file, write $progname --create-rc >/.svndiffrc -c, --diffcmd x Use x as the diff command. ... item B<--create-rc> Send a configuration file example to stdout. To create a new F</.svndiffrc> file, write $progname --create-rc

6 Jan 2021: 1 2. New Terms in GMIN. Two new terms have been included for use with the implicit membrane.