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Version 0.78 - 19.03.08

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@myurkin myurkin released this 06 Jul 08:54
· 450 commits to master since this release
  • Name of MPI executable is now adda_mpi; this allows automatic compilation of both sequential and MPI versions from the same source folder.
  • Parallel executable for Win32, compiled with MPICH2, is included in the package.
  • Filtered coupled dipoles formulation was implemented (both full and quasistatic version). New arguments fcd and fcd_st for interaction term (-int command line option) and fcd for polarization term (-pol command line option). It greatly improves DDA performance for large refractive indices.
  • To-do list added to the package: doc/todo.xls and todo.pdf.
  • Hands-on tutorial was added to the manual. It is based on the one carried out during the DDA Workshop in Bremen.
  • New command line option '-opt {speed|mem}' was added. It allows choosing whether ADDA will optimize itself for maximum speed or for minimum memory usage.
  • Calculation of scattered fields is accelerated by more than 4 times (compiled with gcc). Thanks to R. Scott Brock for this idea. This may also significantly accelerate orientation averaging, depending on the problem.
  • New command line option '-eq_rad <arg>' was added, it allows one to specify volume-equivalent radius of a scatterer.
  • Shapes box and spherebox no longer depend on the second and third argument of -grid option.
  • Shape box now accepts two optional arguments: y/x and z/x aspect ratios, defining a rectangular parallelepiped.
  • Automatic line wrapping was added for most output to stdout and stderr. ADDA tries to get terminal width from COLUMNS environmental variables and, if fails, uses the default value.
  • Two new shapes were added: capsule and egg. They were implemented by Daniel Hahn and Richard I. Joseph.
  • Now, if grid size is auto-initialized from default dpl, ADDA ensures that it is not smaller than 16.
  • Limitation on positiveness of dipole coordinates in shape file was removed. Now ADDA automatically determines the minimum box around the particle and centers it as usual.
  • Orientation averaging was optimized. If α is varied in a full range [0°,360°), only one value of γ is simulated for β=0° and 180°, saving a few evaluations of internal fields. Thanks to Antti Penttila for this idea.
  • Limited two-way compatibility with DDSCAT 6.1 geometry format was added. ADDA automatically detects DDSCAT format during reading of dipole file. When saving geometry to the file, the format is determined by new command line option '-sg_format {text|text_ext|ddscat}'.
  • Several minor bugs were fixed.