Changes in the SimLine radiative transfer code

1.0 -> 1.1:

- restructuring of the field handling in the radiative transfer part,
  elimination of the emissivities -> 20% speed-up of the code
- Enabling compile-time and command line options giving the default
  values for the output file structure and setting overwrite mode
- Removal of a bug in the Sobolev part which could slow down the
  convergence in certain cases


1.1 -> 1.2: - introduction of a first approximation for the treatment of turbulence and clumping in space or velocity space (effective optical depths) (Martin, Sanders & Hills 1984, MNRAS 208, 35) - Addition of the turbulence correlation length as additional parameter in the set of physical input parameters - Possibility to eliminate most of the annoying questions during the program execution by command line options or compiler directives
1.2 -> 1.21: - removal of a severe bug in the central transfer code, addition of a second order term important for large velocity gradient regimes
1.21 -> 1.3: - introduction of the treatment of a central HII region in the cloud core, addition of new physical parameters for the electron density and temperature within the HII region - new molecule added (SiO in the ground vibrational state) - new collision rates for CS taken from Turner et al. 1992, ApJ 399,114, now all molecules except HCO+ can be treated at kinetic temperatures up to 300K - improvement of the ray spacing in the final computation of the line profiles in case of large velocity gradients - removal of a bug in the spatial intensity integration appearing at density edges - further exception handling added for very high intensities (e.g. local masers)
1.3 -> 1.31 - removal of a bug in the transfer on the central ray which wasted computing time - accuracy improvement for the routine computing the central optical depth given as control output
1.31 -> 1.4: - improvement of the accelerated lambda iteration, convergence speed up for large optical depths, "overshooting" prevented - better extrapolation of the CO-ortho-H2 collision rates beyond 100K providing a smooth transition to the values for CO-para-H2 - addition of a two new observational parameters for a better map control (central offset and number of map points) - increase of the size of all fields in frequency points
1.4 -> 1.5: - introduction of new collision rates for HCO+ from T. Monteiro (1993) with up to 11 levels, now all molecules can be treated up to 300K - removal of the rarely used input parameters lower and upper cut, cuts have to be introduced be the user via additional shells now - increase of the maximum shell number - acceleration of the convergence in the Sobolev part - removal of two bugs which could prevent convergence in certain special cases at some machines - modularized error treatment
1.5 -> 1.51: - removal of a format error writing a wrong comment line to some parameter files - introduction of the background temperature as a free parameter, this makes old physical parameter files and population files incompatible
1.51 -> 2.0: - name changed from LTR to SimLine since the original abbreviation became meaningless - removal of the molecular data from the code, they are now read from external files to obtain higher flexibility - extension to arbitrary nonlinear molecules, this required changes in the input file format for observational parameters - introduction of a data table treatment for the functional behaviour of the physical cloud input parameters, changes in that input file format - introduction of FITS files as the default line output file format - input of precomputed level populations as initial guess introduced - definition of all field sizes in a single include file - iterative improvement for large matrices introduced, acceleration of convergence for molecules with many transitions - introduction of a smart maser treatment for weakly saturated masers
2.0 -> 2.01 - fixed bug that produced a numeric overflow at very high effective opacities in the macroturbulent description - updated molecule files from JPL data base - clean exception handling for zero collision rates introduced
2.01 -> 2.02 - improved accuracy of the small-tau approximation so that its range is extended now - small speedup - fixed bug in the interpolation of the source function that could result in strong localized errors in case of considerable masering - substituted linear extrapolation of collision rates at small temperatures by square root extrapolation - added more molecule files
2.02 -> 2.05 - Added option '-autonames' for an automatic generation of the names of the output files based on the input model name - optical depth output added as a comment in the line files - Transition from 0 to 0 generates a loop over all excited lines - fixed small flaw in the call for the lambda iteration for level populations
2.05 -> 2.06 - Fixed wrong velocity order in FITS files - Fixed a bug in the error handling when rewriting FITS files appearing with some compilers - Reduced the range for the linear interpolation of the exponetials - Added several molecules
2.06 -> 2.07 - Added new atoms/molecules: OI, CII, H2CO, CH3OH - Updated constants for CI - Fixed bug in the string handling of level names including spaces - Introduced exception handling for levels with the same energy - Restricted grid adjustment to significantly excited levels - Increased accuracy in maser handling that could prevent convergence
2.07 -> 2.08 - Removed an inconsistent accuracy handling in sobolev introduced in 2.07 - added options -populateonly and -stoponerror - Fixed a bug in the initial grid adjustment that could lead to a numerical singularity in case of strong negative systematic velocity gradients - Added exception handling for floating point overflows in irrelevant collision rates
2.08 -> 2.09 - Improved handling of grid of rays in radiative transfer for observed lines - Small adjustment of radial grid treatment - reduced default value of epsz from 0.25 to 0.2 - Added error detection for temperatures below comsic background in input
2.09 -> 2.10 - added exception handling for zero-width input shells - added reader for LAMDA files - added Windows libraries - upgrade of Absoft compiler support to version 10.0
2.10 -> 2.11 - adaption of Makefile to new cfitsio library - switch from g77 to gfortran for Linux - indendation changed to be gfortran compatible
2.11 -> 2.12 - added exit codes to all stop commands for automatic fitting in MAGIX - truncation of Gaunt factor approximation for high frequencies to prevent negative optical depths - switch to composition of spline and trapezium integration for beam integration as splines created overshooting in an extreme case

V. Ossenkopf
March, 13, 2012