Onion: multilayered concentric sphere and ellipsoid shapes #333
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…Updates script for Intel compiler with VS (without testing)
…layers have same index, and comparison to onion when yxratio=zxratio=1
myurkin
reviewed
Jun 24, 2024
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Thanks very much -- I'll respond to your comments over the next day or two. |
- adds several new functions - moves common parts to a new file common.sh - comparison of shape files now ignores differences in shape names (if it is expected) - adds processing of exit codes and possibility to stop on the first error - increases refractive indices, adds -grid 16, but balances this with -eps 1 (keeping the computational time approximately the same) - adds several tests to onion.sh with zero-thickness shells - now both tests run clean
…ated2) - adds hints on inserting SVG files into MS Word in svg_images.txt - Changes to the manual: * polishes the description of new shapes (including some changes in variable names) * specifies coated2 as deprecated shape * updates the default value of MAX_NMAT to 60 * updates affiliation of the first author * adds specific note about an interim version of the manual
- a bit cleaning in CMDIGNORE and OLDIGNORE - makes test less stringent for "-int igt 3" (due to improvement of corresponding routines since 1.4.0) - copies new test strings to other suites (haven't tested sparse, since it is all commented there)
…ons) - MAX_N_SH_PARMS is now calculated directly from MAX_NMAT, but extra check for its sufficiency is added to PARSE_FUNC(shape) - Use of MAX_NMAT is now more informative in various help strings (`-h m` and for new shapes) due to use of new macro TO_STRING(A) - adds deprecated comments and warnings for shape coated2 - increments ADDA version to 1.5.0-alpha2 (as was done in the manual)
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I have added various improvement. Feel free to comment on them (or add anything). Apart of that, we only need to finalize |
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Your changes to files other than |
- tests of input parameters is now inclusive, so equality of any bounds (including that to 0 and 1) is allowed - cosmetic improvements to description strings - onion_r2 is now dynamically allocated - adds function DescendingSearch - the implementation is still trivial, but the overall code is simpler
myurkin
approved these changes
Jul 2, 2024
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Jerome, I have added a few (cosmetic) improvements. Can you please quickly check that the latest version works on your side? And then I will merge. |
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Looks good to me -- please go ahead and merge when you are ready. |
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Description
Add shapes
onionandonion_ellfor multilayered concentric spheres and ellipsoids, respectively.onionextends existing shapescoatedandcoated2to allow for arbitrary number of concentric layers, not just 2 or 3. (The upper limit is set byMAX_NMAT.) Similarly,onion_ellextends existingellipsoidshape to allow for an arbitrary number of concentric ellipsoidal layers. These new shapes might be useful for modeling particles whose refractive index varies continuously by approximating the variation stepwise.Related issues
Fixes #293. (Confocal spheroids, briefly mentioned in #293, are not implemented.)
Types of changes
Checklist
make seq)NO_FORTRANorNO_CPPpreprocessor macros, respectively.README.mdin corresponding folders.make seq OPTIONS=DEBUG, but betterdevtools/build_debug) or they are discussed belowsh comp2exec seqintests/2exec, but betterdevtools/test_new [seq]). If any errors appear, they are discussed below.tests/2exec(and potentially new ignore patterns). In some cases, it is desirable to add new tests totests/equiv.git diffor, better, some GUI tool, to ensure that no unexpected changes are introduced.comp2exec seqfail, but same failures occur inmaster.