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184 commits

Author SHA1 Message Date
Ray Speth
d3f49e74cb [Python] Fix display of information from errors in callback functions 2018-08-17 14:17:51 -04:00
Bryan W. Weber
6b3c912ec3 Fix MemoryWriter is no longer available from fmtlib 
In fmtlib 5.0.0, MemoryWriter was removed. The recommendation is to
replace it with memory_buffer
 2018-05-30 14:16:27 -04:00
Ray Speth
9c50f7528c Add support for Sundials 3.1.0 (also 3.0.0) 2018-02-14 22:22:42 -05:00
Ray Speth
50a3fecb23 Rename Sundials-related macros to avoid name conflicts 2018-02-14 22:22:42 -05:00
Ray Speth
7673f7cb52 Remove code deprecated in Cantera 2.3.0 2017-02-12 19:22:33 -05:00
Ray Speth
b9ac39bf68 [Numerics] Failures in BandMatrix raise exceptions 
Store the 'info' flag returned by the underlying LAPACK function so that callers
can catch the exception and retrieve this information if desired.

Eliminate automatic 'bandmatrix.csv' output.
 2016-11-11 23:18:22 -05:00
Ray Speth
43f7bc8cdf [Numerics] Remove trailing commas when printing Array2D and BandMatrix 2016-11-11 23:06:35 -05:00
Ray Speth
454f156764 [Numerics] Deprecate GeneralMatrix::nRowsAndStruct 2016-11-11 23:06:35 -05:00
Ray Speth
fb9a4b1d61 Deprecate RootFind 2016-11-04 11:36:13 -04:00
Ray Speth
a01032cd2d Resolve some compiler warnings 2016-11-02 18:36:50 -04:00
Ray Speth
ecb2868a18 [Reactor] Suppress recoverable errors in RHS function by default 
Accumulate errors and show them if the integrator actually fails. In "verbose"
mode, the errors are shown as they occur.
 2016-10-23 22:42:53 -04:00
Ray Speth
ae6e7fdff7 Add license/copyright info to files that were missing it 2016-10-10 22:48:23 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
ac7a9bd238 Deprecate copy constructors for eventually-noncopyable objects 
The following classes (and their children) will be non-copyable and
non-assignable after Cantera 2.3:
  - ThermoPhase
  - Kinetics
  - Transport
  - Species
  - SpeciesThermoInterpType
  - MultiSpeciesThermo
  - VPSSMgr
  - PDSS
  - ResidJacEval
  - RootFind
 2016-07-29 18:57:29 -04:00
Ray Speth
af3de9aa4d [Numerics] Fix BandMatrix assignment operator 2016-07-29 15:05:52 -04:00
Ray Speth
64bb049647 [Numerics] Handle zero-size timestep in CVodesIntegrator::advance 
This permits simpler integration loops starting from t=0
 2016-07-04 16:01:31 -04:00
Ray Speth
efb068e319 [Numerics] Modify polyfit to use Eigen instead of fortran/f2c code 2016-05-14 22:00:22 -04:00
Ray Speth
799695f0de Disable SquareMatrix LAPACK operations when LAPACK is not available 
Because SquareMatrix is unused within Cantera and deprecated, it is not
necessary to implement alternatives for these functions.
 2016-05-14 22:00:22 -04:00
Ray Speth
01d3679664 [Numerics] Deprecate matrix-type argument to GeneralMatrix 2016-05-14 22:00:22 -04:00
Ray Speth
f260e858c0 [Numerics] Deprecate class SquareMatrix 2016-05-14 22:00:22 -04:00
Ray Speth
b49c2e4c2d [Numerics] Use Eigen instead of internal LAPACK for DenseMatrix operations 2016-05-14 21:56:17 -04:00
Ray Speth
41ae065a6e Use Sundials to solve BandMatrix instead of using internal LAPACK 2016-05-14 21:56:17 -04:00
Ray Speth
cf13b318f4 [Reactor] Implement enthalpy of formation sensitivity analysis 2016-05-08 18:24:14 -04:00
Ray Speth
e454c51925 [Numerics] Show messages from std::exception in CVODES residual function 2016-04-28 22:01:26 -04:00
Ray Speth
cd77a94588 [Numerics] Fix memory leak in CVodesIntegrator 
Memory allocated in CVodesIntegrator::sensInit was not being released.
 2016-04-20 14:35:57 -04:00
Ray Speth
032bb9c363 [Reactor] Move sensitivity parameter vector into FuncEval 
This eliminates the need for class FuncData, and makes it possible to
introduce sensitivity parameters which have a nominal values other than 1.0.
 2016-04-19 16:08:52 -04:00
Ray Speth
56f49ef444 Miscellaneous jargon cleanup 2016-04-16 22:32:49 -04:00
Ray Speth
7af1b4b60f [Numerics] Fix invalid memory access in DenseMatrix increment 
This method now works for rectangular matrices
 2016-04-13 21:11:05 -04:00
Ray Speth
bd24aeb926 [Numerics] Fix DenseMatrix::mult to work for rectangular matrices 2016-04-13 21:11:05 -04:00
Ray Speth
b94e272291 [Numerics] Fix invalid memory access in DenseMatrix::mult 
Results were incorrect for rectangular matrices
 2016-04-13 21:11:04 -04:00
Ray Speth
881fcbaf6f Improve use of local variables in src/numerics 2016-03-27 22:52:49 -04:00
Ray Speth
b55c8fe813 Replace overly-specific exception types with CanteraError 
Deprecate exception types which are now unused.
 2016-02-04 19:34:26 -05:00
Ray Speth
f44b5fed57 Replace usage of int2str with cppformat and deprecate int2str 2016-02-04 19:11:49 -05:00
Ray Speth
f91afda8cb Replace usage of fp2str with cppformat and deprecate fp2str 2016-02-04 19:11:45 -05:00
Ray Speth
b0230fb146 Modify BandMatrix to avoid unnecessary casts from size_t to int 2016-02-04 14:45:36 -05:00
Ray Speth
484da253da Use cppformat instead of stringstream in some places 2016-02-04 14:45:21 -05:00
Ray Speth
7562d79bad Remove unnecessary calls to ostream.close() 2015-11-23 18:06:54 -05:00
Ray Speth
b4a1fb2db1 [SCons/Numerics] Use ext/sundials if system Sundials not installed 2015-11-23 16:53:20 -05:00
Ray Speth
e58bd09859 Eliminate debug_verbose option and DEBUG_MODE macro 
Vebose printing can always be enabled at runtime by setting flags on various
classes.
 2015-11-18 11:02:30 -05:00
Ray Speth
f5ff849b47 Replace std::copy with simpler direct assignment where possible 2015-11-12 17:35:30 -05:00
Ray Speth
75d9ef93c5 Clean up Doxygen docs and comments for numerics classes 2015-11-12 11:41:34 -05:00
Ray Speth
70fe821c19 Deprecate FuncEval::getInitialConditions and related functions 2015-11-06 14:40:48 -05:00
Ray Speth
0647823ada Replace DATA_PTR macro with calls to data() 2015-10-17 18:58:50 -04:00
Ray Speth
a03f370cfd Make use of emplace and emplace_back methods 2015-10-14 18:45:23 -04:00
Ray Speth
fb4eece9f8 Use std::unique_ptr instead of raw pointers where appropriate 2015-10-14 18:45:23 -04:00
Ray Speth
3f6d8b0aca Use cppformat instead of int2str and fp2str 2015-10-14 18:45:23 -04:00
Ray Speth
2589a27b6c Use range-based for and auto to simplify some loops 2015-10-14 18:45:23 -04:00
Ray Speth
0b2c7b59b8 Replace printf with writelogf in all library code 2015-10-14 18:45:23 -04:00
Ray Speth
16143b47b6 Replace most uses of sprintf with cppformat 2015-10-14 18:45:22 -04:00