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Merge pull request #9 from rs028/mistra_version
Solves #6.
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Original file line number | Diff line number | Diff line change |
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################################################################# | ||
# # | ||
# Changes to KPP-2.2.3 which need to be done to use with Mistra # | ||
# # | ||
# Author: Josue Bock (josue.bock@meteo.fr) # | ||
# # | ||
################################################################# | ||
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1. In main directory: | ||
--------------------- | ||
1.1/ mkdir bin | ||
1.2/ readme copied from Rolf Sander's version | ||
1.3/ edit Makefile.def according to KPP instructions | ||
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2. In src directory: | ||
-------------------- | ||
2.1/ edit code_f77.c and decrease the number of written columns (integer case) from 12 to 11 (or less): | ||
- maxCols = 11 | ||
- if (((i+1) % 11 == 0 ... | ||
- comments starting with ! instead of C (optional, unactivated) | ||
2.2/ code_f90.c from Rolf Sander's version | ||
2.3/ edit gdata.h, increase MAX_EQN (=5000, or more) and MAX_SPECIES (=3000, or more). After Rolf Sander changes: also increase MAX_K (=300) | ||
2.4/ use scan.l from Rolf Sander's version (dimensions increased to 300, related to change #2.3 here) | ||
2.5/ edit scan.y and increase the dimension of the character variable "str" from 80 to 300. | ||
2.6/ correct gen.c, SR GenerateJacReactantProd : allocate integer arrays instead of a declaration | ||
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3. In int directory: | ||
-------------------- | ||
3.1/ use corrected version of int/rosenbrock.f | ||
- ode_Fun is not the correct name, replaced by FunTemplate | ||
- ode_Jac is not the correct name, replaced by JacTemplate | ||
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4. In util directory: | ||
--------------------- | ||
4.1/ use empty version of UserRateLaws.f | ||
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################################################################# | ||
# # | ||
# Further changes to KPP-2.2.3 -- after Forcheck-ing the code # | ||
# # | ||
################################################################# | ||
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Further change in int/rosenbrock.f: | ||
- remove all calls to SR WCOPY | ||
- remove all calls to SR WSCAL | ||
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Update 05/03/2017: | ||
------------------ | ||
- bugfix in code_f77.c: in F77_DeclareData, a bug arise if the number of species (or reactions) is a multiple of max_lines | ||
corrected by adding "if( min < max )" | ||
- in the same routine: dynamic column filling, to take 3 - 5 digits into account, and avoid too long files (and too numerous continuation lines) | ||
- plus cleaning of the whole file, according to compilation messages | ||
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- in gen.c, little improvement to print correct file extension when running KPP | ||
- plus cleaning of this file according to compilation messages | ||
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- in util/sutil.f: bugfix in SR KppDecomp: there was already a test to prevent JVS(...) == 0, but there were 2 mistakes: | ||
- only nvar values were tested, not covering the whole JVS(:) values | ||
- a strict equality ("== 0") was used, while abs < tiny is safer. |
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