Commit graph

1401 commits

Author SHA1 Message Date
Ray Speth
96f93bbac7 Use Boost.Math to provide 'erf' when it is not provided by math.h 2011-12-14 19:34:28 +00:00
Ray Speth
ef617af524 Fixed compilation issues when compiling without Sundials
ctnumerics and the included CVODE had been broken
2011-12-14 19:34:10 +00:00
Ray Speth
60a00546dc Added include directory for f2c code
Most f2c code needs the "f2c.h" file, which is only in the
ext/f2c_libs directory, but this error doesn't usually show up
because it is also in /usr/include on most Unix systems.
2011-12-14 19:34:04 +00:00
Ray Speth
098501cbe4 Fixed several platform-dependent preprocessor defines to work with Windows 2011-12-14 19:33:53 +00:00
Ray Speth
a9b09b6527 Eliminated variable-length arrays from MolalityVPSSTP::reportCSV
These are a feature of C99, but are not part of the C++ standard.
2011-12-14 05:55:44 +00:00
Ray Speth
ff878fc826 "equil" compilation now includes C source files
This fixes compilation with the VCS non-ideal phase option
2011-12-14 05:55:01 +00:00
Ray Speth
99a0dc5f0f Removed incomplete CMake build scripts 2011-12-14 03:54:19 +00:00
Ray Speth
2d8b1f4431 SCons install target now copies header files to the installation directory 2011-12-14 03:52:26 +00:00
Ray Speth
702ae7251d Added SCons installation targets for libraries and binaries 2011-12-14 03:52:19 +00:00
Ray Speth
b6bfca8e94 SCons now builds the Cantera kernel 2011-12-14 03:03:57 +00:00
Ray Speth
b796e83f81 Improved behavior of Python module when python isn't in the path 2011-12-14 02:20:19 +00:00
Ray Speth
5e81697129 ck2cti now detects invalid transport geometry flags 2011-12-14 01:47:35 +00:00
Ray Speth
6326963e7c Allow T** in 4-term Troe expression to be negative
Unlike the T* and T*** coefficients, T** appears in the numerator and
does not cause any problems when its value is less than or equal to 0.
2011-12-14 01:47:30 +00:00
Harry Moffat
56ad9ca9e8 Fixed a compile error in the THREAD_SAFE capability 2010-11-12 18:02:21 +00:00
Harry Moffat
58baed0f2e Fixed issue 17
There was an obvious error in the THREAD_SAFE_CANTERA compile.
2010-11-11 00:19:59 +00:00
Harry Moffat
ef7728b1d3 Merged thermo directory with the LiquidTransportDevelop
thermo directory. 
  The biggest change is the addition of the derivative routines
of the activity wrt mole fraction and mole number.
Also There is an addition of reportCSV() routine, which is 
a method to create a comma separated file from ThermoPhase routines.
The rest are small issues.
2010-05-09 03:18:33 +00:00
Harry Moffat
eaa2875d10 Two major capabilities have been merged into the main branch
from liquidTransportDevelop branch

The Exchange_current_reaction_ratecoeff_type method for
formulating reaction rate constants for exchange current
reactions has been ported into the main branch.

Fixed the InterfaceKinetics object so that we can
specify that a phase doesn't exist. If a phase doesn't exist,
species in that phase can't be reactants in the phase. Before,
this fix, they could be !?!!
This was because InterfaceKinetics objects use ThermoPhase
objects, which are intrinsic only. We need an extrinsic notion 
that is in addition to ThermoPhase info in order to get this right.
2010-05-08 03:15:22 +00:00
Harry Moffat
94d0d85925 Added more units strings.
Took out frequency conversion, until we reevalulate it
2010-05-07 14:48:15 +00:00
Harry Moffat
7b046ad00f Added comments. 2010-05-07 14:47:03 +00:00
Harry Moffat
3d64fae63c Added a deepStdVectorPointerCopy templated routine.
Allows for deep copies of
2010-05-07 14:45:32 +00:00
Harry Moffat
33a21f76ac Added more constructor inits. 2010-05-07 14:44:46 +00:00
Harry Moffat
74b1c3c0a1 Added more constructor inits 2010-05-07 14:44:05 +00:00
Harry Moffat
db3de591af Added comments.
Added deprecated symbol for array_fp
2010-05-07 14:41:34 +00:00
Harry Moffat
350988be37 Changed the format of the xml file so that you only need
2 of the 3 fields:
 DG0, DH0, and S0.

The third field is calculated consistently wrt the first two fields.
2010-04-21 18:05:44 +00:00
Christopher Lueth
08615de293 test commit 2010-02-12 22:28:49 +00:00
Christopher Lueth
08dca36204 hi 2010-02-12 22:23:44 +00:00
Harry Moffat
a5ea91b56a Changes due to compilation problems on solaris 2010-02-09 20:24:11 +00:00
Harry Moffat
e2fb5d3483 Fixed compilation errors on solaris. 2010-02-09 19:57:02 +00:00
Harry Moffat
66ea343cea Doxygen update
- no code changed
  - All the easy warning messages are eliminated now from the trunk.
2010-01-17 18:17:55 +00:00
Harry Moffat
36e4040750 Doxygen update
- beat down the warning messages from this directory.
   - no code changed other than reformatting.
2010-01-17 17:55:28 +00:00
Harry Moffat
180fbef55d Doxygen update
- no code has been changed other than a change of symbols.
2010-01-17 17:05:46 +00:00
Harry Moffat
8af585eeab Doxygen update - no code changed.
Working on beating down the warnings
2010-01-16 18:57:05 +00:00
Harry Moffat
3587de40b7 Doxygen update on SingleSpeciesTP
double to doublereal conversions

made sure const parameters match on setTemperature()
2010-01-15 20:22:09 +00:00
Harry Moffat
8ea0c8197e Made sure all double values were doublereal 2010-01-13 22:12:27 +00:00
Harry Moffat
bedb314545 Eliminated a doxygen error. 2010-01-12 21:34:40 +00:00
Harry Moffat
ab38d29228 Fixed a doxygen compatibility problem. 2010-01-12 21:27:32 +00:00
Harry Moffat
3d392242d9 Added documentation for an external int 2010-01-12 21:23:08 +00:00
Harry Moffat
41e207d762 Added comments. 2010-01-12 17:16:57 +00:00
Harry Moffat
e381001c95 Merged changes from the 1.8.0 branch ontl the main trunk. 2010-01-04 00:46:26 +00:00
Harry Moffat
2ee8ae220d Fixed an error with the assignment and copy constructor.
The VPSSMgr object needed to be resynched with the VPStandardStateTP
object after it was set up. This was not done.
2009-12-22 22:35:30 +00:00
Harry Moffat
d96464f0c2 Fixed an error in the assignment and copy constructor.
The VPSSMgr object needed to be resynced at the end of the
assignment. This wasn't being done.
2009-12-22 22:27:01 +00:00
Harry Moffat
acf0c3f7c3 Fixed a typo that was causing sundials version 2.3 builds to fail.
The define variable was spelled incorrectly.
2009-12-21 21:02:28 +00:00
Harry Moffat
4420038d29 Fixed an error that caused sundials version 2.3 not to work as intended.
There was an error in the ifdef variable's spelling.
2009-12-21 20:27:18 +00:00
Harry Moffat
321d387930 MetalSHEelectrons
Added a built-in type to handle electrons in metals that
    follow the SHE convention.

    Took out electrodeElectron, since it was hidden and not used.

    MetalSHEelectrons have a standard concentration of 1, instead
    of the previous treatment where SHE electrons had a standard
    concentration equal to the concentration of an ideal gas.
2009-12-11 01:32:26 +00:00
Harry Moffat
204f6bff33 Made the destructor virtual 2009-12-11 01:19:09 +00:00
Harry Moffat
9b90beb0e0 Merged changes from LiquidTransportDevelopment
There were two changes:

Additions to support some reversible reactions which have fractional
stoichiometries. These were not allowed previously. However, if
the species with fractional stoichiometries are in single-species
phases, this is ok, and actually necessary for some solid-phase
reactions.

Removed comments from DEBUG_MODE about about too high or low an activation
for electrode reactions.
2009-12-10 23:20:44 +00:00
Harry Moffat
9c6080e3c9 Turned on keyword substitution in the cpp files. 2009-12-09 17:50:27 +00:00
Harry Moffat
6d02467b7e Added the change for the bugfix to HMWSoln to the static branch
The function getActivityConcentration in the HMWSoln object had
a bug in it that caused it to be incompatible with standardConcentration()
and getActivities(). This meant that the ROP in kinetics managers
for this object was being calculated incorrectly.

This is now fixed.
2009-12-09 17:34:13 +00:00
Harry Moffat
20c74f21af Added the change for the bugfix to HMWSoln to the main branch.
The function getActivityConcentration in the HMWSoln object had
a bug in it that caused it to be incompatible with standardConcentration
and getActivities(). This meant that the ROP in kinetics managers
for this object was being calculated incorrectly.
2009-12-09 17:29:23 +00:00
Harry Moffat
392683283a An initial implemention of a string representation of the
phase eos type.  We've not had this until now. 

The idea here is to have a 1 to 1 mapping between an
eosType int and a string, which can be used for writing output.
2009-12-08 17:36:40 +00:00