Pages matching "hydrogen" in Launchpad

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120 of 105 other pages matching "hydrogen"
  • What is wrong with the attached computation of hydrogen molecule ion? The computed distance between the atoms is 4.48 Bohr and the computed energy of the system -0.523 Ha. The correct distance between the atoms is d = 2.0 Bohr and the correct energy of the system about -0.6 Ha. Results with HF and Hartree computations (ixc = 100 and 0) are even worse.
  • Dear Developers, What is tha optimum value for choosing hgrid parameter. As, I understood we can have a look at pseudo potential (PSP) files and look for "Rloc" and among those choose the minimum. But if we do that for Hydrogen it is 0.2 so every calculation will always be expensive. What is the correct approach? We can do the convergence analysis but how to know from the PSP files.
  • An open source, cross-platform SVG Editor using Qt 4.5 RC 1. Carve includes an SVG-aware text editor, dockable DOM browser and Properties panels, a preview window and the beginnings of a graphical editing mode.
  • The Muon Ionisation Cooling Experiment (MICE) is an experiment designed to demonstrate ionisation cooling of muons by passing them through liquid Hydrogen absorbers and RF cavities while contained in a very intense magnetic field. MICE has a complete software set including tools for Monte Carlo simulation of the experiment, data acquisition, data transfer, detector reconstruction, accelerator ...
  • BigDFT is a DFT massively parallel electronic structure code using a wavelet basis set with the capability to use a linear scaling method. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation). GTH or HGH pseudopotentials are used to remove the core electrons. The code BigDFT is available in ABINIT v5.5 and higher but can also be ...
  • Downloads. powervc-driver does not have any download files registered with Launchpad. • Take the tour • Read the guide
  • ttyMIDI is useful if you are building a new hardware MIDI interface that has a serial port (USB or RS232, for example). By implementing a MIDI protocol in your device, you can use ttyMIDI to connect to any ALSA MIDI program, such as Ardour, Hydrogen, or even GIMP!
  • My name is Kasemsak Saetang. I am a physics lecturer of Nakhon Si Thammarat Rajabhat University. I completely installed python-escript 4.0 without mpi on a high performance computer under Cent OS 7.0. Because my data took a lot of to run, I considered to use openmpi. I got a problem to set link against of mpi. I don't khow what a problem. My mpi version is openmpi-1.8.4.
  • Updated version of atompaw code (09/18/2013 -- Marc Torrent and Francois Jollet introduced small improvements to the XML and abinit dataset generation routines; 07/09/2013 -- Marc Torrent introduced small corrections; 06/22/2013 -- Marc Torrent and Francois Jollet added a new option for outputting a file in XML format according to the specifications set up by the GPAW group .
  • 04-30-04 Revised atompaw to use modern Fortran 90 structures and to allow for new scheme for constructing Vloc (see NewatompawNotes.tex, NewatompawNo tes.pdf). To compile:
  • An alternative gui (vs. the default piano roll) for sequencing drum tracks. Preferrably something in the spirit of Hydrogen's drum matrix or the drum matrix in Rosegarden. Another (also very nice) option would be a square grid like in Jackbeat. It's not very intuitive to create drum sequences in seq24 using the piano roll.
  • oslo messaging use oslo.config as configuration utility to setup Transport object. Here are 2 problems need to consider: 1) oslo.messaging: parse options in the default section as amqp paramerters input our current design: 2 message brokers to setup, options are parsed from [openstack] and [powervc] sections respectively. 2) oslo.config.cfg.CONF is a single global configuration options ...
  • KXStudio is a collection of applications, artwork and plugins, targeted at audio and video production. KXStudio also provides a Linux Distribution, currently based on Ubuntu 12.04.1 LTS.
  • Package totals. The following information is related to the total published packages in the repository (not on your system).
  • 43.By Israel Dahl on 2014-04-09 * upstream git patches - Automatable model: When using value from linked model, make sure to fit it into own range as otherwise this can cause out-of-boundary accesses e.g. in ComboBoxModel.
  • BigDFT is a DFT massively parallel electronic structure code using a wavelet basis set with the capability to use a linear scaling method. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation).
  • Thanks for adding the JS areas at the bottom of layout.html. Will be great if we can move more stuff there - if we can have all page-generated JS there then we can also move the JS we currently have in the header, which should noticeably improve page rendering.
  • Hi ! I'm using KDE 4.8.1 and Fedora 16 ! I had installed the lastest cairo-dock 3 ! It works ok ! But when by example, it open shortcuts in the subdock, is shows a missing icons (question icons) ... ! Somme themes resolve this, but my preferred not ! What i have to make to show the appropriated icons in the subdock ? Thanks
  • Changes to make the release 0.1.3
  • I have run Hartree-Fock calculations (ixc=100) for hydrogen atom. I used psppar.H file from utils/PSPfiles. Now the resulting energy is E = -0.356 Ha, which is not very good, and BigDFT gives warning "PSP generated with a different XC. Input XC is "Hartree-Fock Exchange only"". What kind of psppar file should I use?
120 of 105 other pages matching "hydrogen"