[Savannah-register-public] [task #10663] Submission of Los Alamos Transferable Tight-binding for Energetics

[Marc Cawkwell]

URL:
  <http://savannah.nongnu.org/task/?10663>

                 Summary: Submission of Los Alamos Transferable Tight-binding
for Energetics
                 Project: Savannah Administration
            Submitted by: cawkwell
            Submitted on: Thu 07 Oct 2010 04:50:45 PM GMT
         Should Start On: Thu 07 Oct 2010 12:00:00 AM GMT
   Should be Finished on: Sun 17 Oct 2010 12:00:00 AM GMT
                Category: Project Approval
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
        Percent Complete: 0%
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                  Effort: 0.00

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Details:

A new project has been registered at Savannah 
This project account will remain inactive until a site admin approves or
discards the registration.


= Registration Administration =

While this item will be useful to track the registration process, *approving
or discarding the registration must be done using the specific Group
Administration
<https://savannah.nongnu.org/siteadmin/groupedit.php?group_id=10653> page*,
accessible only to site administrators, effectively *logged as site
administrators* (superuser):

* Group Administration
<https://savannah.nongnu.org/siteadmin/groupedit.php?group_id=10653>


= Registration Details =

* Name: *Los Alamos Transferable Tight-binding for Energetics*
* System Name:  *latte*
* Type: non-GNU software & documentation
* License: GNU General Public License v2 or later (Copyright 2010.  Los
Alamos National Security, LLC. This material was produced under U.S.
Government contract DE-AC52-06NA25396 for Los Alamos National Laboratory
(LANL), which is operated by Los Alamos National Security, LLC for the U.S.
Department of Energy. The U.S. Government has rights to use, reproduce, and
distribute this software.  NEITHER THE GOVERNMENT NOR LOS ALAMOS NATIONAL
SECURITY, LLC MAKES ANY WARRANTY, EXPRESS OR IMPLIED, OR ASSUMES ANY LIABILITY
FOR THE USE OF THIS SOFTWARE.  If software is modified to produce derivative
works, such modified software should be clearly marked, so as not to confuse
it with the version available from LANL.
 
Additionally, this program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as published by
the Free Software Foundation; version 2.0 of the License. Accordingly, this
program is distributed in the hope that it will be useful, but WITHOUT ANY
WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
A PARTICULAR PURPOSE. See the GNU General Public License for more details.
)

----

==== Description: ====
LATTE is a FORTRAN90 code for computing the energy of, and forces acting on,
atoms in molecular materials using an implementation of the self-consistent
charge transfer tight-binding approximation. Advanced algorithms allow
computational cost to scale linearly with the number of atoms, in single or
double precision, facilitating large-scale, long-duration molecular dynamics
simulations of dynamic phenomena using an explicitly quantum mechanical
method. Furthermore, these algorithms offer a straightforward path toward
parallelization on multi-core/multi-processor (MPI and/or OpenMP) and hybrid
hardware architectures, including GPUs (CUDA). Precise energy conservation in
quantum-molecular dynamics is made possible via the extended Lagrangian
Born-Oppenheimer molecular dynamics formalism. Medium and long-range
interactions in molecular materials are described and bond-making and breaking
events are tolerated via spin polarization. LATTE facilitates high-fidelity
atomistic simulations of static and dynamic phenomena in condensed and gas
phases where interatomic interactions are some combination of covalent,
electrostatic, and van der Waals bonding. 


==== Other Software Required: ====
LAPACK, Freely-available (http://www.netlib.org/lapack/LICENSE),
http://www.netlib.org/lapack/

BLAS, Freely-available (http://www.netlib.org/lapack/LICENSE),
http://www.netlib.org/blas/.


==== Tarball URL: ====
http://savannah.gnu.org/submissions_uploads/LATTE_GPL_10_7_2010.tar.gz






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