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Title: DCA_Tools

Abstract

HPC software for ab-initio, condensed-matter physics, quantum mechanics calculations needs to be built on top of well tested libraries some of which address requirements unique to the programming domain. During the development of the DCA++ code, that we use in our research, we have developed a collection of libraries that may be of use to other computational scientists working in the same or similar domains. The libraries include: a) a pythonic input-language system, b) tensors whose shape is constructed from generalized dimension objects such at time domains. frequency domains, momentum domains, vertex domains et. al. and c) linear algebra operations that resolve to BLA/LAPACK operations when possible. This supports the implementation of Greens functions and operations on them such as are used in condensed matter physics.

Authors:
 [1]
  1. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1420088
Report Number(s):
DCA_Tools; 005588WKSTN00
DOE Contract Number:
AC05-00OR22725
Resource Type:
Software
Software Revision:
00
Software Package Number:
005588
Software CPU:
WKSTN
Open Source:
Yes
Source Code Available:
Yes
Country of Publication:
United States

Citation Formats

Summers, Michael S. DCA_Tools. Computer software. https://www.osti.gov//servlets/purl/1420088. Vers. 00. USDOE. 8 Nov. 2017. Web.
Summers, Michael S. (2017, November 8). DCA_Tools (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1420088.
Summers, Michael S. DCA_Tools. Computer software. Version 00. November 8, 2017. https://www.osti.gov//servlets/purl/1420088.
@misc{osti_1420088,
title = {DCA_Tools, Version 00},
author = {Summers, Michael S},
abstractNote = {HPC software for ab-initio, condensed-matter physics, quantum mechanics calculations needs to be built on top of well tested libraries some of which address requirements unique to the programming domain. During the development of the DCA++ code, that we use in our research, we have developed a collection of libraries that may be of use to other computational scientists working in the same or similar domains. The libraries include: a) a pythonic input-language system, b) tensors whose shape is constructed from generalized dimension objects such at time domains. frequency domains, momentum domains, vertex domains et. al. and c) linear algebra operations that resolve to BLA/LAPACK operations when possible. This supports the implementation of Greens functions and operations on them such as are used in condensed matter physics.},
url = {https://www.osti.gov//servlets/purl/1420088},
doi = {},
year = {Wed Nov 08 00:00:00 EST 2017},
month = {Wed Nov 08 00:00:00 EST 2017},
note =
}

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