sbrisard / pw85 Goto Github PK

The test of contact_function shows very poor accuracy with the following parameters

    golden_ratio = (1.+np.sqrt(5.))/2.
    norm = np.sqrt(1+golden_ratio**2)
    u_abs = 1./norm
    v_abs = golden_ratio/norm

    r = np.array([0., u_abs, v_abs])
    n1 = np.array([0., u_abs, v_abs])
    n2 = np.array([0., u_abs, v_abs])
    a1 = c1 = 1.999
    a2 = c2 = 0.0199

(these are spheres!)

This ticket is strongly related to #1: the same changes should be implemented in the Makefile.

For the time being, it returns 0 allways. A non-zero value should be returned in case of non-convergence.

See CMakePackageConfigHelpers.

PW85 now invokes the GSL implementation of the Brent algorithm. This probably requires to change the license to GPL (check the legal issue).

Auto-formatting breaks some lines and introduces spurious asterisks in RST directives.

The commands that read the config file and import the dynamic library should be wrapped in a function.

For consistency with function pw85__xT_adjA_x.

The python module should be renamed pw85, while we are at it!

In the meson.build script, the following command

pw85_version = run_command('more', # `more` works on both windows and linux
			   join_paths(meson.source_root(),
				      '..',
				      'metadata',
				      'version.txt')).stdout().strip()

Leads to an incorrect header file

#define PW85_VERSION "::::::::::::::
C:/Users/sbrisard/Documents/programmes/pw85/src/../metadata/version.txt
::::::::::::::
1.0"

under windows/MSYS2. Replacing more with cat works fine.

This directive conflicts with how breathe processes the signature of functions.

The role of this directive is not clear. What is the consequence of removing it?

The make.bat that is automatically generated by sphinx-quickstart has been altered in order to place the generated html files in PROJECT_ROOT/docs (this is required by GitHub pages).

For the time being, the following command is executed

if exist "_build\html\" xcopy /i /s /e _build\html ..\docs

This hack should be made a bit more robust, by

• testing whether the html target was indeed invoked,
• sphinx-build ran successfully.

Owing to the use of the GSL library, the function pw85_f (to be maximized) needs to have a signature that is compatible with GSL, namely

double func(double x, void* params)

We propose to write a "low-level" implementation of pw85_f with precisely this signature. Besides, the value returned by this low-level implementation should be negated (as gsl_min_fminimizer_brent seeks minimizers). The hi-level implementation would keep the present signature.

A detailed error message should be provided, documenting the location of the expected config file, as well as its structure.

An error should be thrown when convergence could not be reached.

One-letter names ought to be avoided.