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public release 2.2.0 - see README.md and CHANGES.md for details

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muntwiler_m
2020-09-04 16:22:42 +02:00
parent fbd2d4fa8c
commit 7c61eb1b41
67 changed files with 2934 additions and 682 deletions
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pmsco/calculators/calculator.py
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@@ -42,7 +42,7 @@ class Calculator(object):
or <code>output_file + '.etpai'</code> depending on scan mode.
all other intermediate files are deleted unless keep_temp_files is True.
@param params: a pmsco.project.Params object with all necessary values except cluster and output files set.
@param params: a pmsco.project.CalculatorParams object with all necessary values except cluster and output files set.
@param cluster: a pmsco.cluster.Cluster(format=FMT_EDAC) object with all atom positions set.