In the atomic weights struct in Elements.cpp, ensure that there is no
space before the closing brace of an element and that there is one
space between the longest element name and a 3-digit weight.
Use data from the periodic table at
http://www.ciaaw.org/atomic-weights.htm and
https://iupac.org/wp-content/uploads/2018/12/IUPAC_Periodic_Table-01Dec18.pdf
Elements without any atomic weight in either table do not have a stable
isotope. These are deleted from elements.xml and have their atomic
weight set to -1.0 in Elements.cpp. Add elements after plutonium that
were not previously listed. None of these elements have stable
isotopes.
These elements are retained/added so their symbols, names, and atomic
numbers can still be retrieved and the mapping of atomic number to
index - 1 in the struct is maintained.
Modify the element weight lookup functions to throw errors when an
element with no weight is requested (i.e., the weight is -1.0 in the
struct).
XML_Node::build will make that node the root node (i.e. the 'ctml' node)
of the tree, instead of giving that node a child node containing the actual
root node.
Phase::addElements(string name, ...) is the single entry point for adding
elements. It always perform the uniqueness check, and can do the extra
additional work required to add elements to a phase that already has species,
removing the need for "freezing" the phase's elements. Parsing the XML tree for
elements is now handled in "installElements". The variant element-adding methods
are deprecated.
Took out single_species compilation option
took out some deprecated warnings
Fixed an error in copy constructors for thermo.
Still an error with PYTHONPATH and the test suite
-- more to come.
Floating point values are read using a std::stringstream imbued with the "C"
locale to avoid problems with using std::atof when the user's locale uses a
character other than "." as the decimal separator.
Patch provided by Phillip Berndt.
Fixes Issue 153.
Moved the external libraries to separate library files so that libcantera.a just contains its own namespace externals.
Fixed several errors in the equilibrium program that occurred during the port. (int to size_t issues).
Moved some equilibrium program headers to the include file system, so that it can link with equilibrium program.
Worked on Cantera.mak. Needs more work.
Fixed an issue with the Residual virtual base classes within numerics. They didn't inherit due to int to size_t migration. This caused numerous test problems to fail (issue with backwards compatibility - do we want it and how much do we want?).
Added csvdiff back so that it's available for shell environment runtests.
These changes make it unnecessary to copy header files around during
the build process, which tends to confuse IDEs and debuggers. The
headers which comprise Cantera's external C++ interface are now in
the 'include' directory.
All of the samples and demos are now in the 'samples' subdirectory.
2012-02-12 02:27:14 +00:00
Renamed from Cantera/src/thermo/Elements.cpp (Browse further)
