Fortran project: Modification of the input file readin in the existing code
i) compile the existing GAMESS code - a quantum chemical software package
ii) run the attached tests to see the current performance
- file "[url removed, login to view]" is a working case - must finish successfully after a compilation, as in the provided output (.out)
- file "file "[url removed, login to view]" is a case that fails; pls compare w/ output form the previous file to see the difference
the goal of the current project is a modification of the code so that code will be able to run this example (and similar ones, cf. below) properly after;
namely readin of the group "$GCILST" at the end of the input file
iii) source code modification
The file [url removed, login to view] (and possibly other linked src files) which contains the readin section (for the $GCILST) of the code (attached) must be modified to
be able to read in up to 999 entries in free format instead of the current 30 (per line).
In addition one must be careful about the proper initialization of arrays that seem to be limited to 30 or so.
The GAMESS code (source provided in [url removed, login to view], whole package available upon request; [url removed, login to view]) is a scientific code,
the successful modification of the appropriate method in the source code should provide consistent results within the given method.
I.e, the test in "[url removed, login to view]" should pass (similar output to the [url removed, login to view]) and, in addition,
a few more tests will be provided later that must provide consistent results.
If the Freelancer finds that the reward is not satisfactory for the work required,
she is free to consult and argue the situation clearly before accepting the job.
Additional questions are higly appreciated and welcome!