TOPAS-Academic is a general non-linear least squares system driven by a scripting language. At its core is a bound-constrained minimization engine wrapped in a computer algebra system. Subject-specific modules, such as Rietveld refinement, are built on that foundation, which is why parameters, constraints and restraints, written as ordinary equations, can be applied across any of them, and across many data sets at once.
It is used for:
Published work using TOPAS spans battery and energy storage materials, catalysis, metal-organic frameworks and zeolites, cements and minerals, alloys and metallurgy, perovskites and photovoltaics, pharmaceutical polymorphs, thermoelectrics, phosphors, fuel cells and ionic conductors, and functional ceramics.
TOPAS-Academic is available to:
TOPAS-Academic comprises all the functionality of BRUKER-AXS TOPAS operating in Launch mode including all graphics and OpenGL structure editor and viewer. Launch mode is where the full functionality of TOPAS is realized.
Input is via an INP script; with a good editor and a help system, writing INP scripts is straightforward. To bring standardization to editing INP files, John Evans has built a complete working environment on top of the open source editor VS Code here.
A command line program, TC.EXE, comprises the kernel of TA and is used for batch processing and TOPilot AI driven work.
John Evans' involvement in TOPAS-Academic continues; his many ideas, suggestions, tutorials and rigorous testing has led to a multitude of breakthroughs and improvements.
There are no differences between the kernel of TA and Bruker-AXS TOPAS for the same version number. TA will always comprise the latest kernel.
There are no differences in regard to single crystal refinement, structure solution, neutron TOF and non-standard Rietveld refinement. See starting tutorials here.
There are some differences in how data input is handled for peak fitting and indexing, see here.
For standard Rietveld refinement TOPAS offers the use of Windows dialogs.
Each license runs one instance of the program on a specific computer. More than one person can use that computer, but not at the same time; TA.EXE and TC.EXE can both be run at once. 10% VAT is charged for Australian customers only. Buy a licence · 400 Euros/year
The number of years is up to you, in whole years. A purchase costs 400 USD × the number of years × the number of licenses.
For those who must have an invoice, send an e-mail from a valid university email address to AlanCoelho@bigpond.com. PhD students should supply their supervisor or department's head web and e-mail address. We do not complete supplier-registration or vendor-onboarding forms, and we do not sign purchase agreements.
The Software checks for updates on startup and records standard access information (IP address, date/time, hardware derived code). A similar request occurs once per startup when a refinement is run to check for updates. No user data, structures, results, filenames, or settings are transmitted. Logs remain on the server and expire automatically. Licence creation requires a .dxx file containing hardware identifiers; this is retained while the licence is supported. Information is used solely for licence enforcement and is not sold, shared, or used for advertising.
BRUKER-AXS and in particular Dr. Arnt Kern for recognising the needs of the scientific community and granting permanent use of TOPAS code in TOPAS-Academic.
John Evans for continuous support, testing and guidance in the development of TA's functionality.