Comments (2)
I don't know that it was a good decision, but my thinking behind the libraries is that libonepath
and libpotph
are the Fortran entry points. That is, a Fortran programmer would want a familiar, Fortran-syntax way of getting into those two things. They both expose Fortran subroutines with a long argument lists.
libfeffpath
and libfeffphase
are fairly thin C wrappers which expose a data structure and map the data structure onto the Fortran subroutine calls in the other two libraries.
As I said, not necessarily the most sensible, but it's what I did when i did it, which was quite some time ago by now....
As for the executables, I replicated what Feff8 did as delivered and thought about improving upon it not at all. That wasn't a decision so much as a stopping point.
I am fine with executables named feff8l_*
. I would also be fine with a small C or python program called feff8l
which, when called without an argument, would run all of Feff in the original sense. When called with an argument, it would run the individual steps.
from feff85exafs.
addressed in #41, though the small feff8l
program there is in Python (with no non-standard lib dependencies).
from feff85exafs.
Related Issues (20)
- fixdsp.f --- setting grid
- need a test suite! HOT 1
- perform static analysis HOT 2
- need to get rid of ".bin" extensions HOT 3
- Compilation with -finit-local-zero fails HOT 1
- EXCH/mpse.f is broken HOT 5
- parallel compilation is currently not an option HOT 2
- MATH/polint.f compiles with an odd warning HOT 1
- unit test coverage
- branches HOT 3
- small error in calculation of mag[feff]
- ints vs long on 64-bit HOT 6
- k-grid in feffNNNN.dat HOT 1
- cleanup in wrapper folder
- promotion of single to double HOT 2
- POT/broydn.f HOT 1
- build fails on OS X HOT 3
- fundamental constants should be updated HOT 5
- main Python script is Python2 only HOT 1
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