Fortran 90 Lessons for Computational Chemistry
Footnotes

1

Except if a string is broken in two lines. In this particular case it is added at the end of the broken line and the beginning of the next line.

2

See excode_2_4.f90, Section 2.3.4.

3

More info on intrinsic functions and function definition in Fortran can be found in Objectives, Section 8.1.

4

Beware of this feature in functions and subroutines.

5

The column major order storage makes optimal to run over columns in the inner loop, specially when running with large matrices.

6

STDERR is associated with unit 0.

7

This is achieved making use of the IERR = label option in the READ command. opción indica que si se ha producido un error de lectura el programa debe saltar a la línea marcada por label.

8

From The Free On-line Dictionary of Computing (8 July 2008) [foldoc]: script: A program written in a scripting language.

9

The NAMELIST format could also be used with the WRITE command to save labeled variables.

10

You should take into account that in Fortran angles are expressed in radian units.

11

The median value of a set of data is defined as the value of the list such that half the values of the set are less than it and the other half are greater than it. Median and mean are identical for symmetrical data distributions. The calculation of the median requires the sorting of the set of values.

12

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Fortran 90 Lessons for Computational Chemistry