ubchrest / tchemv1 Goto Github PK

1. To configure the library:

   ./configure --with-examples=yes --with-sundials-dir=<path-to-cvode-lib> --with-dvode-dir=<path-to-dvode-lib> --with-doxy


  --with-examples     - example codes will be compiled (default no)
                        This option requires the user to provide paths
                        to local CVODE and DVODE libraries. The source
                        code for these libraries can be downloaded
                        from: https://computation.llnl.gov/casc/software.html
                                
  --with-doxy         - doxygen documentation will be created  (default no)

2. To make the library type 'make'

3. To run the examples (if the example codes were compiled)

    - download kinetic model files and thermodynamic data

        (a) for METHANE download grimech30.dat and thermo30.dat from:
	      http://www.me.berkeley.edu/gri_mech/version30/files30; 
              save these files as chem_gri3.inp and them_gri3.dat,
	      respectively, under the 'data' directory 

        (b) for ISO-OCTANE download ic8_ver3_mech.txt and prf_v3_therm_dat.txt from:
            https://www-pls.llnl.gov/data/docs/science_and_technology/chemistry/combustion/ic8_ver3_mech.txt
            https://www-pls.llnl.gov/data/docs/science_and_technology/chemistry/combustion/prf_v3_therm_dat.txt
            save these files as chem_isoOct.inp and therm_isoOct.dat,
            respectively, under the 'data' directory 

        (c) for Primary Reference Fuels (PRF) mixtures download
              prf_2d_mech.txt and prf_2d_therm.txt  from:
              https://www-pls.llnl.gov/data/docs/science_and_technology/chemistry/combustion/prf_2d_mech.txt
              https://www-pls.llnl.gov/data/docs/science_and_technology/chemistry/combustion/prf_2d_therm.txt     
              save these files as chem_prf.inp and therm_prf.dat,
             respectively, under the 'data' directory 
      
   - execute script files linksNrun*.x that are located in ign-*/run/* for the C, C++, and Fortran examples.
     Note that simulations involving the iso-Octane can take from 15min to several hours to complete.