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11 Commits

Author SHA1 Message Date
Sylvain Tricot 8e79e90fb5 Add multielement support for SPRKKR potential 2020-07-07 17:27:26 +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 93782236b0 Add the eigen value "spectroscopy" support. 
The msspec/spec/fortran folder is totally different now. Most of the
fortran subroutines are in their own file and are located in different folders

The Makefile has been rewritten and can generate 3 libraries:
- one for Photoelectron Diffration in series expansion
- two for Eigen value calculation with matrix inversion and power method
 2019-12-05 18:26:41 +01:00
Sylvain Tricot a3469c53df work on packaging 2019-11-16 00:38:17 +01:00
Sylvain Tricot 45034a44cd Update version 2019-11-15 16:51:07 +01:00
Sylvain Tricot ba80b3c88d work on CI set_version 2019-11-15 16:48:05 +01:00
Sylvain Tricot 189f60e1d8 iUpdate the license info 2019-11-15 16:24:12 +01:00
Sylvain Tricot 500d822c11 change bug in hooks/pre-commit 2019-11-15 16:15:15 +01:00
Sylvain Tricot 923f5580e8 Add version target in toplevel Makefile 2019-11-15 16:07:48 +01:00
Sylvain Tricot 85cc7d788a test hook again 2019-11-15 15:56:02 +01:00
Sylvain Tricot eee2516a02 Add new file hierarchy 2019-11-15 11:16:06 +01:00