Search results for " Fortran"
showing 4 items of 4 documents
The problem of interoperability: A common data format for quantum chemistry codes
2007
A common format for quantum chemistry (QC), enhancing code interoperability and communication between different programs, has been designed and implemented. An XML-based format, QC-ML, is presented for representing quantities such as geometry, basis set, and so on, while an HDF5-based format is presented for the storage of large binary data files. Some preliminary applications that use the format have been implemented and are also described. This activity was carried out within the COST in Chemistry D23 project “MetaChem,” in the Working Group “A meta-laboratory for code integration in ab initio methods.” © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Simulación de un proceso industrial de cristalización de Cloruro de Sodio (NaCl) y aplicaciones
2014
RESUMEN: La cristalización a partir de disoluciones es importante industrialmente dada la gran variedad de sustancias que se comercializan cristalizadas. Para mejorar la enseñanza aprendizaje de esta Operación Básica, en este trabajo, realizado como Trabajo Fin de Carrera de Ingeniería Química, se ha implementado un programa de simulación de una cristalización, partiendo de los datos de una cristalización industrial de NaCl. El objetivo ha sido manejar herramientas de cálculo para simular y optimizar esta operación, lo que permite conocer más profundamente el proceso de la cristalización y la utilización de las herramientas de cálculo, es decir, utilizar simultáneamente los conocimientos ad…
Mixed Non-Parametric and Parametric Estimation Techniques in R Package etasFLP for Earthquakes’ Description
2017
etasFLP is an R package which fits an epidemic type aftershock sequence (ETAS) model to an earthquake catalog; non-parametric background seismicity can be estimated through a forward predictive likelihood approach, while parametric components of triggered seismicity are estimated through maximum likelihood; estimation steps are alternated until convergence is obtained and for each event the probability of being a background event is estimated. The package includes options which allow its wide use. Methods for plot, summary and profile are defined for the main output class object. The paper provides examples of the package's use with description of the underlying R and Fortran routines.
Search for photonic signatures of gauge-mediated supersymmetry in 8TeV pp collisions with the ATLAS detector
2015
A search is presented for photonic signatures motivated by generalized models of gauge-mediated supersymmetry breaking. This search makes use of 20.3 fb[superscript −1] of proton-proton collision data at √s = 8 TeV recorded by the ATLAS detector at the LHC, and explores models dominated by both strong and electroweak production of supersymmetric partner states. Four experimental signatures incorporating an isolated photon and significant missing transverse momentum are explored. These signatures include events with an additional photon, lepton, b-quark jet, or jet activity not associated with any specific underlying quark flavor. No significant excess of events is observed above the Stand…