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## Gargi Shaw, September 2020
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A calculation using the development version of the code will generate several warnings
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A calculation using the development version of the code will
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generate several warnings
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about duplicate reactions. These are silenced on release versions.
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Gargi Shaw spent some time looking into this and created the following report.
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The following points discuss why we are getting duplicate reaction rates and how to rectify it.
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The files involved are `mole.cpp`, `mole_reactions.cpp`, `mole_co_base.dat`, `mole_co_federman.dat` and `mole_co_umisthack.dat`.
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The following points discuss why we are getting duplicate reaction
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rates and how to rectify it.
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The files involved are `mole.cpp`, `mole_reactions.cpp`, `mole_co_base.dat`,
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`mole_co_federman.dat` and `mole_co_umisthack.dat`.
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The reactions listed in `mole_co_federman.dat` and `mole_co_umisthack.dat` are also listed in `mole_co_base.dat`. Hence we are getting duplicate reaction comment.
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The reactions listed in `mole_co_federman.dat` and `mole_co_umisthack.dat`
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are also listed in `mole_co_base.dat`.
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Hence we are getting duplicate reaction comment.
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The relevant blocks of code are the following:
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## 1. mole.cpp (line no. 24 to 28)
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````
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From points 1. and 2. we can see that reactions listed in `mole_co_federman.dat` and `mole_co_umisthack.dat` override the rates listed in `mole_co_base.dat` for those reactions.
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Hence, rates from `mole_co_federman.dat` and `mole_co_umisthack.dat` are finally used for calculations.
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From points 1. and 2. we can see that reactions listed in
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`mole_co_federman.dat` and `mole_co_umisthack.dat` override
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the rates listed in `mole_co_base.dat` for those reactions.
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Hence, rates from `mole_co_federman.dat` and `mole_co_umisthack.dat`
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are finally used for calculations.
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## 3. The rates from `mole_co_federman.dat` and `mole_co_umisthack.dat` are different from those listed in `mole_co_base.dat`.
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## 3. The rates from `mole_co_federman.dat` and `mole_co_umisthack.dat`
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are different from those listed in `mole_co_base.dat`.
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Now the question is, which rates do we want to set as default values?
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Was it intended to use rates listed in `mole_co_federman.dat` and `mole_co_umisthack.dat`
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as default values? Do we want to keep all default rates in one file, namely `mole_co_base.dat` for ease of future updates?
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Was it intended to use rates listed in `mole_co_federman.dat` and
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`mole_co_umisthack.dat`
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as default values? Do we want to keep all default rates in one file,
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namely `mole_co_base.dat` for ease of future updates?
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## 4. If the answers are yes,
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Either, update the rates in `mole_co_base.dat` and make the following changes in
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Either, update the rates in `mole_co_base.dat` and make the following
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changes in
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````
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lgFederman = false (mole.cpp);
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... | ... | @@ -69,7 +81,8 @@ OR |
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just comment out those reactions from `mole_co_base.dat`.
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## 5. If we don’t want to use rates listed in `mole_co_federman.dat` and `mole_co_umisthack.dat`
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## 5. If we don’t want to use rates listed in `mole_co_federman.dat`
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and `mole_co_umisthack.dat`
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as default values, then make the following changes,
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````
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... | ... | @@ -83,4 +96,6 @@ and |
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````
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Please note, this will result in huge changes since the rate values listed in `mole_co_base.dat` are different. |
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Please note, this will result in huge changes since the rate values
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listed in `mole_co_base.dat` are different.
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