Submitted by lev_lafayette on Sun, 04/26/2009 - 23:20
From their website.
VAMP/VASP [Vienna Ab-initio Simulation Package] is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The approach implemented in VAMP/VASP is based on a finite-temperature local-density approximation (with the free energy as variational quantity) and an exact evaluation of the instantaneous electronic ground state at each MD-step using efficient matrix diagonalization schemes and an efficient Pulay mixing. These techniques avoid all problems occurring in the original Car-Parrinello method which is based on the simultaneous integration of electronic and ionic equations of motion. The interaction between ions and electrons is described using ultrasoft Vanderbilt pseudopotentials (US-PP) or the projector augmented wave method (PAW). Both techniques allow a considerable reduction of the necessary number of plane-waves per atom for transition metals and first row elements. Forces and stress can be easily calculated with VAMP/VASP and used to relax atoms into their instantaneous groundstate.
Or, in other words...
Submitted by lev_lafayette on Mon, 04/20/2009 - 00:15
Further adventures in attempting to install Underworld 1.2 on Wexstan.
Previous instruction for installing Mesa largely work, but with the following exceptions.
Use a new directory name and run the configuration as modified...
mkdir -p /usr/local/mesa/7.4
... and discover a new and interesting failure.
checking for LIBDRM... configure: error: Package requirements (libdrm >= 2.4.3) were not met:
Submitted by lev_lafayette on Mon, 04/20/2009 - 00:03
Wextan is a 64 bit Opteron Linux Cluster with 32 Opteron 246 CPUS with 64 Gb Ram and 0.5 Terabytes of Hard Disk Storage running Fedora Core 5. A user wants to install Underworld v1.2 on this machine.
Submitted by lev_lafayette on Tue, 04/07/2009 - 06:44
Submitted by lev_lafayette on Wed, 04/01/2009 - 00:34
Mesa (why does their website use frames?) is an open source 3D graphics library based on the OGL specification. It's been around since 1993 and is still in regular development, making it quite popular for scientific applications.
Submitted by lev_lafayette on Thu, 03/26/2009 - 03:15
NAMD is a parallel molecular dynamics code for large biomolecular systems. Version 2.7b1 has some advantages over 2.6 and an extensive user's guide.
Download the tarball (registration required), put it somewhere sensible (e.g.,
/usr/local/src/NAMD) and unpack (
tar xvf NAMD_2.7b1_Source.tar.gz) and enter that directory.
Submitted by lev_lafayette on Sun, 02/27/2005 - 13:00
On Saturday, February 26, 2005, Harelquin the rat died.
He had been in decline for some time, his back legs slowly giving up. On Thursday evening he had stopped eating altogether which caused great concern. However on Friday evening the presentation of some oat and apple baby food was graciously accepted.
Submitted by lev_lafayette on Fri, 10/29/2004 - 14:00
Kaben par Andre no Catharina.
Istoria ida iha Tetum, Lingua iha Timor Lorosa'e. Ho inspirisaun ba Connie Willis.
Para Leonardo do Lafayette.
Bom dia hau-nia kolega,
Hau hakarak ko'alia istoria ida kona ba kaben par Andre no Catharina.
Istoria ne iha kona ba mestri bulak no labele sasan,
folia rai ida, lahatene rai, hanoak ahioan ida,
relojiu ahi ida (nebe tenki hadia), be buan ida, no
At-Loron Livre ne. Be ko'alia nada kona ba asu.
Submitted by lev_lafayette on Fri, 09/20/2002 - 14:00
Originally posted on the IT Timor email list.
Location: Eastern section of Timor Island, the enclave of Ambeno and Atauro and Jaco islands. Capital Dili is located at c125.5 deg E and c8.5 deg S.
Geography: Rugged mountains up to 3,000 metres with 44% of land area on a slope of c40% and higher. Coastal plains.
Climate: Hot and Wet. Average temperature 21 deg C, average humidity 80%. Monsoon season between November and April.
Submitted by lev_lafayette on Sat, 05/18/2002 - 14:00
Companion of Harlequin. Much loved by all. Died 18th May 2005
My initial post on Monte explains the circumstances of his death. I am very touched by all your comments. Thank you.
This is a remembrance of his life, which spanned roughly 2 years, 9 months (roughly 58 human years).