FORTRAN language data structures

The core of the current version of Candid is implemented in standard Fortran-77 and has been built upon the data structures and into the framework of the user interface of the program Dyana. The standard schedule and parameters for a complete automated structure determination with Candid and Dyana are specified in a script written in the interpreted command language Inclan that gives the user high flexibility in the way automated structure determination is performed without the need to modify the compiled core part of Candid [26]. 

HPF High Performance FORTRAN a language specification defined by industry and research community leaders as an extension to FORTRAN-90. HPF allows for explicit data-parallel distribution of data structures. 

Other applications call for more complex data structures capable of storing and handling vast amounts of information such as the properties of a group of similar substances and compiling literature data available on a given technique. In these Instances, languages such as PL/1 [24] or PASCAL [25] are to be preferred to BASIC or FORTRAN. 

Object-oriented programming (OOP) languages combine data and procedures that operate on that data into discrete structures called objects. By contrast, the traditional programming languages (such as FORTRAN) used widely by chemists and chemical engineers separate data to be operated upon... 

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