Language FORTRAN

Years ago, the choice of a programming language was a very simple one. Chemistry was dominate almost entirely by the Fortran language. Today, the choice is mainly made between Fortran, Pascal, and Basic. Because each of them has its own... 

FORTRAN statements also can be inserted by the user in the paragraph called FORTRAN. Using the DEFINE sentence, as before, any problem variables may be accessed. Using FORTRAN language, any arbitrary transformation of the problem variables may be made and stored. This extremely flexible capability allows the user to (1) modify block calculations, (2) change stream values, (3) insert user FORTRAN blocks, and (4) execute many other powerful, specific functions. A BEFORE or AFTER statement can be used to make the FORTRAN execution before or after any block. 

Almost all applications programming in chemistry, and structural chemistry in particular, is performed in the FORTRAN language and the molecular mechanics calculations for which this hardware/software design exercise was undertaken is no exception. There are two problems which must be solved in order to build a FORTRAN microcomputer system with good scalar and array computational performance and these are firstly, the design of an efficient scalar processor with a transparent FORTRAN interface to the hardware and secondly, the design of an efficient AFPP,... 

B. Chapman, P. Mehrotra, and H. Zima, Institute for Computer Applications in Science and Engineering (ICASE) Technical Report 91-72, September 1991. Vienna Fortran A FORTRAN Language Extension for Distributed Memory Multiprocessors. 

The PERVAP simulator (tubular module) was developed by Alvarez (2005), using FORTRAN language (Compaq Visual Fortran Professional Edition 6.6.a). The mathematical model applied is based on the solution-diffusion mechanism. Activity coefficients of the components in the feed phase (jj) were determined using the UNIFAC method (Magnussen et al, 1981). The prediction of diffusion coefficient (Z) ) was carried out using the free-volume theory. 

FORTRAN language (FORTRAN IV, F66) could only be used on large mainframe systems that accepted programs in batch. Turnaround was slow interaction was nil. The availability of microcomputers (IBM personal computers or compatible) has made it easier for numerical techniques, simulation, and design problems to be developed. Computer software can now be used interactively on such systems. 

This book is unique in that to date no textbook on chemical process deign and simulation using microcomputers and the FORTRAN programming language has been published. FORTRAN 90 is a major development of the FORTRAN language and includes all the computer programs in this text as a subset. To assist the user and to demonstrate the validity of the methods, worked examples of practical industrial relevance are provided throughout the text. 

A computer program written in FORTRAN language was developed by one of the authors, not only to make these computations, but also to find the parameters in a simplified consistent manner. This program was designed for calculations on the liquid state but could be used without alteration for the plastic crystal state. 

Unlike most modem computer programs, the Herman-Skillman code, written in the FORTRAN language, uses formatted input and output statements. Thus the white spaces in the text lines of input count to separate each input parameter. 

We have implemented the DMRG code in FORTRAN language. The only in-core algorithm we need to use is the matrix diagonalization... 

Figure 15 The scope of the dosage form development task. The notation Do loop refers to the iterative process by analogy to the Fortran language shorthand.

The ADAPT system currently consists of approximately sixty programs written in the FORTRAN language and meant to be executed interactively on a minicomputer or a larger timesharing computer. Development at Penn State has been on a MODCOMP 11/25 16-bit minicomputer with 65,000 16-bit words of core memory. The system has been designed and implemented to provide the user with all the capabilities necessary to perform SAR studies on sets of up to several hundred compounds at a time. 

As proof that the machine is able to interpret coherently all information as a neuron, and to handle it properly, another program DYNFOT was written in FORTRAN language. Following the instructions of this program the computer is able to reconstruct the whole dendritic... 

Then input page for problem description is provided to input the equations of the objective functions and constraints under the format similar to the Fortran language. After the repeated processes of input and confirmation, a set of trial solutions for the pair comparisons is generated arbitrarily within the hull convex spanned by the utopia and the nadir solutions. ... 

OpenMP Forum (1997). Fortran Language Specification, Version 1.0, www.openmp.org/, Oct. 

A good text on the FORTRAN language is that of Balfour and Marwick (1979). Friedman and Koffman (1981) provide useful hints on good programming techniques, as do Press et al (1986) the latter book is a gold mine of useful subroutines. 

This bottleneck can be relieved by writing the equations of formation and destruction for each species in full. Doing this by hand would be far too time consuming, and so this subroutine is written by computer. OBLOAD is an equation "hard-wirer", which automatically produces such FORTRAN code for the subroutine DIFFUN, required by GEAR (Nejad, 1986). This produces up to 3000 lines of FORTRAN in 5 minutes on a current scientific workstation computer. DBLOAD takes account of the various terms listed above, and also restrictions imposed by the FORTRAN language, such as length of line and number of continuation lines allowed in one statement. 

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