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msspec_python3/src/msspec
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Sylvain Tricot 0ee6c2d791 Fix bug in spec (files not closed). 
Some files were not closed in spec at the end of the program. This
caused some troubles in runing the phagen-spec cycle several times.

A function (CLOSE_ALL_FILES) was added in misc.f to force opened
units in the range [7,200] to be closed before exiting the main
subroutine.
 		2020-09-28 15:09:47 +02:00
..
data Add new file hierarchy 2019-11-15 11:16:06 +01:00
es Add test coverage report in documentation 2019-11-29 17:38:41 +01:00
msspecgui Fix axes graphical bug in clusterviewer. 2020-07-22 14:09:51 +02:00
phagen Fix bug in spec (files not closed). 2020-09-28 15:09:47 +02:00
spec Fix bug in spec (files not closed). 2020-09-28 15:09:47 +02:00
__init__.py Add multielement support for SPRKKR potential 2020-07-07 17:27:26 +02:00
calcio.py Add R-Factor support. 2020-07-22 18:32:15 +02:00
calculator.py Fix bug in spec (files not closed). 2020-09-28 15:09:47 +02:00
cli.py New entry point in package. 2020-06-15 16:48:01 +02:00
create_tests_results.py Add support for SPRKKR potential. 2020-04-10 17:36:25 +02:00
iodata.py Add R-Factor support. 2020-07-22 18:32:15 +02:00
misc.py Add support for SPRKKR potential. 2020-04-10 17:36:25 +02:00
parameters.py Add R-Factor support. 2020-07-22 18:32:15 +02:00
tests.py Add support for SPRKKR potential. 2020-04-10 17:36:25 +02:00
utils.py Add multielement support for SPRKKR potential 2020-07-07 17:27:26 +02:00
version.py New entry point in package. 2020-06-15 16:48:01 +02:00