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Fix/acer consis #147

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27 changes: 27 additions & 0 deletions ReleaseNotes.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,33 @@
# Release Notes—NJOY2016
Given here are some release notes for NJOY2016. Each release is made through a formal [Pull Request](https://github.com/njoy/NJOY2016/pulls) made on GitHub. There are links in this document that point to each of those Pull Requests, where you can see in great details the changes that were made. Often the Pull Requests are made in response to an [issue](https://github.com/njoy/NJOY2016/issues). In such cases, links to those issues are also given.

## [NJOY2016.56](https://github.com/njoy/NJOY2016/pull/147)
This relates to changes made by the consistency checks when a checker acer run is requested. NJOY only rarely modifies data. It does so for secondary particle distributions that use LAW=4 (isotropic angular distribution and continuous tabulated energy distributions) or LAW=44 (Kalbach-Mann).

When the consis routine determines the maximum outgoing energy is too high compared to epmax, it sets the last value of the outgoing energy array to this value, and all values before it to monotonically increasing values that are lower than epmax. It then adjusts the pdf values to maintain the associated cdf. This often leads to the introduction of artificial spikes in the plots produced by acer.

This behaviour has now been modified. Whenever this problem is detected, the consis routine will now reset the first energy larger to epmax to a value slightly below it and adjust the pdf value so that the cdf value for this energy point is 1.0. All other energy points after this energy point along with their associated data is set to zero. The locators in the xss array are left unchanged.

Due to this new behaviour, and because the routine that writes the xss array does not check locators, the change routine was modified as well to verify consistency of the locators with the actual position in the xss array. Whenever the locator is inconsistent, it will either just advance to the locator (thus taking into account the gaps created by the consis routine) or issue an error when the locator points to a position lower than the current one.

The change routine was also simplified to improve its readability by adding subroutines to write a list of integers, a list of real numbers, a single integer and a single real number.

A large number of compiler warnings were also fixed in this pull request (mostly unused or uninitialised variables).

Test case 55 was added to properly test this for a LAW=44.

This release addresses issue [\#130](https://github.com/njoy/NJOY2016/issues/130).

## [NJOY2016.55](https://github.com/njoy/NJOY2016/pull/146)
For incident alpha particles, acer assumes that when MT22 is present, the MF6 entry also contains the outgoing alphas for this reaction. When an evaluation is incomplete because this outgoing particle is missing from the MF6 section, this is not detected and thus results in a corrupted ace file. This can generally happen for any incident particle type. This release detects the absence of the outgoing particle and terminates NJOY gracefully.

This release addresses issue [\#143](https://github.com/njoy/NJOY2016/issues/143).

## [NJOY2016.54](https://github.com/njoy/NJOY2016/pull/145)
A division by zero can occur in HEATR when the atomic mass of the outgoing particles in MF6 subsections in zero. As it is impossible to recover from this (i.e. we cannot guess the atomic weight the evaluator wanted to use), this release allows NJOY to exit gracefully and report the MT number and secondary particle that caused the issue.

This pull request addresses issue [\#144](https://github.com/njoy/NJOY2016/issues/144).

## [NJOY2016.53](https://github.com/njoy/NJOY2016/pull/141)
In an initial proposal for NJOY2016.51, the number of za values to be read (the nza variable) was explicitly requested in the input. This was removed in favor of reading 16 values by default and then determining how many were given. This proves problematic for NJOY21. As a result, specifying nza is now mandatory again.

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