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12 Commits

Author SHA1 Message Date
Sylvain Tricot b011e4348c Updated documentation and tutorials. 
Download and install section contains now information about
how to install MsSpec using Docker.
Tutorials have been updated a bit.
 2021-09-24 16:13:14 +02:00
Sylvain Tricot c2b9e9a572 Changed installation instructions. 2021-07-20 16:42:46 +02:00
Sylvain Tricot 7ebd1d25e2 Work on documentation:installation section
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-07-05 17:50:49 +02:00
Sylvain Tricot ac3b0a2ad5 Remove coverage report page for the moment.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-06-30 17:08:43 +02:00
Sylvain Tricot c9f4236cb1 Remove tutorial pages for Les Houches
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
The index.rst has been renamed to index.rst.hidden to
hide the tutorials section from the website for les Houches school.
A warning message has been added at the top of the downlod section
to tell that this page is deprecated.
 2021-06-30 16:42:28 +02:00
Sylvain Tricot 8ebfd624e1 Add support for SPRKKR potential. 
This is a first version for this option. Some work has still to be
done...
 2020-04-10 17:36:25 +02:00
Sylvain Tricot 81459cfcfc Update doc and README info. 2020-03-31 18:29:41 +02:00
Sylvain Tricot e2ec1e8bcd Documentation is now generated by scons 2020-03-27 17:47:50 +01:00
Sylvain Tricot cedbfd823e Fix bugs for energy scan in EIG spectroscopy. 
It was impossible to perform an energy scan in EIG spectroscopy.
The calculator and calcio modules were corrected.
We can now compute the spectral radius vs energy with and without
renormalization for EIG spectroscopy mode
The G_n, Sigma_n, Z_n and Lowdin K^2 methods are supported for
the inversion algorithm.

This commit fixes also several issues in the GUI and in the
hemispherical_cluster function
 2019-12-12 16:45:12 +01:00
Sylvain Tricot 047458dcf6 Add test coverage report in documentation 
Now tests are run through the coverage utility and a report is generated
and available in the FAQ of the html doc.
 2019-11-29 17:38:41 +01:00
Sylvain Tricot bdd3c7c941 Fix bug in documentation configuration 
sys.path was updated to fit the new file hirerarchy (one '../' removed)
 2019-11-29 15:45:55 +01:00
Sylvain Tricot a28570974e Add the doc folder with all *.rst files 
This is used to create the pdf manual and html website
 2019-11-22 11:39:39 +01:00