Alquimia

Software · Thu Aug 01 00:00:00 EDT 2013

DOI:https://doi.org/10.11578/dc.20210416.49· OSTI ID:1231758 · Code ID:54767

Andre, Benjamin  ^[1]; Molins, Sergi  ^[1]; Johnson, Jeffrey  ^[1]; Steefel, Carl  ^[1]

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1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Alquimia provides a generic interface between flow and transport simulators (drivers) and biogeochemical reaction capabilities (engines). Alquimia consists of two parts: an application programming interface, API, and a wrapper library. The API describes in detail how information is exchanged between the driver and the engine. This includes the function call signatures and data structures required for implementing alquimia in a mixed language (C/C++/Fortran) programming environment. The library is an implementation of the documented API, providing an interface into the biogeochemistry routines supplied by other codes: Alquimia does not do any geochemical calculations. Version 1.0 provides interfaces to the open source codes (BSD) CrunchFlow/CrunchTope and (LGPL) PFLOTRAN. Version 1.0 meets the policies set forth by (and is part of) the Extreme-scale Scientific Software Development Kit, xSDK version 0.6.0.

• Short Name / Acronym: ALQUIMIA
• Project Type: Open Source, Publicly Available Repository
• Site Accession Number: 5141; 2013-119; 2021-149
• Software Type: Scientific
• License(s): Other
• Programming Language(s): C++; Fortran
• Research Organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE

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  Primary Award/Contract Number:

  AC02-05CH11231
• DOE Contract Number: AC02-05CH11231
• Code ID: 54767
• OSTI ID: 1231758
• Country of Origin: United States