Changelog

(unreleased)

added

[v1.1.1.1] - 2021-06-04

fixes

  • linear.extinct: fixed wrong factor in non-vacuum environmets

  • linear.nearfield: fixed the case of calculating only the incident field E0 / B0

[v1.1.1] - 2021-05-10

added

  • experimental New illuminations. Special focused beams: Hermite-Gauss modes, radially polarized and azimuthally polarized doughnut modes, all supporting tight focus (contributed by A. Arbouet)

  • added optional normalization to peak incident field intensity inside nanostructre in linear.extinct and linear.farfield for cross-section calculations

fixes

  • fields.efield: internally a copy of kwargs is now used to avoid unexpected modification of the dictionary

  • code optimization in linear.farfield: the incident field is now only evaluated if it is actually used (contributed by A. Arbouet)

  • code optimization in linear.nearfield: omit unnecessary Green’s tensors calculation for positions inside structure

  • fix in structures.image_to_struct with hexagonal mesh

[v1.1] - 2021-04-07

The pure-python API replaces the former fortran API (former modules core_py, fields_py, linear_py replace the main modules). The high-level syntax remains compatible, but the internal API has changed. The former fortran based implementation is not included in pyGDM anymore by default. It can still be compiled manually from sources (–with-fortran option). It is then accessible via pyGDM2.f_api.

breaking

  • new API is internally not compatible with the former fortran-based API

  • fields generators use new argument convention

  • structures.struct and core.simulation use new description of the environment based on the propagators.DyadsBaseClass reference class

  • behavior of tools.generate_NF_map_xxx changed! They now return list of coordinates.

added

  • consistent class attributes like copy, info-printing etc. for ‘struct’, ‘efield’, ‘dyads’ and ‘simulation’

  • combine structures and simulations by python addition: combined_struct = struct1 + struct2, combined_sim = sim1 + sim2

  • shift structures by python addition: shifted_struct = struct1 + [100, -50, 0]

  • experimental support for arbitrary wavefronts in “fields.gaussian”

  • documentation: several examples

  • calculation of field gradients and optical forces (contribution C. Majorel)

  • support of callback functions

  • full support of pyGDM-UI GUI (still experimental)

changes

  • full implementation of the main API in pure python

  • adapted tutorials and examples to new API

fixes

  • code cleaning in the Dyads classes

  • added available memory check for CUDA-solver. If not enough GPU-RAM, fall back to CPU solver

  • Sign error in “linear.optical_chirality”

  • linear.nearfield: order of elements in ‘which_fields’ is now correctly treated

  • several bugfixes in new code: automatic mesh detection optimized, structure-contour plots improved, fixes in structure-consistency check

  • visu: automatically choose closest available slice level instead of rising an exception

[v1.0.12] - 2020-11-30

experimental

  • new module core_py: experimental python implementation, will replace old fortran dependencies in the future. All development will go into the python API, new functions will only be added via the new API.

  • new implementation core_py.scatter supports calculation of internal magnetic fields (contributed by C. Majorel)

  • new implementation core_py.decay_rate, much faster, optimized numba-code, can calculate both E and H LDOS inside structures. breaking!! uses a new API!

  • new core_py.simulation.dyads attribute: the python implementation is based on a new API for the flexible exchange of the Green’s Dyads. This new attribute contains also all information on the environment

  • default Greens-tensors now in the propagators.G_123_quasistatic class. This includes also the environment configuration: n1, n2, n3, spacing. The indices can be instances of materials-classes (e.g. for a dispersive substrate).

  • structure can be placed in any of the three layers now (‘1’, ‘2’ or ‘3’). But it must be still fully lying in one of the layers.

  • new propagators_2D module for simulations with set of 2D Greens Dyads (infinitely long nanowires). Also supports 1-2-3 layered (and dispersive) system in a quasistatic approximation. Only compatible with the new pure-python API.

  • new class structures.struct_py: for pure-python interface, contains only structure-related information

  • new module fields_py: pure-python implementation of all incident field related code breaking!! new API!

  • new module electron.py and incident field field_py.fast_electron, for cathodoluminescence (CL) and electron energy loss (EELS) simulations. Only compatible with the new pure-python API. Contributed by Arnaud Arbouet (CEMES-CNRS).

added

  • dispersion in the substrate / environment / cladding medium possible: the environment ref.index parameters n1, n2, n3 can now be instances of material classes

  • added tool to split the geometry of a simulation, returning two simulation objects

  • added a core.simulation.scatter attribute to the simulation class to directly launch the scatter-simulation.

  • new material materials.sio2, contributed by Clément Majorel

fixes

  • “evanescent plane wave” field generator now works for bottom- and top-incident angles. New python implementation contributed by C. Majorel.

  • another bugfix in fields.evanescent_planewave for environments n1 or n3 other than vacuum (!= 1)

  • fixed linear.nearfield and linear_py.nearfield: total and scattered field inside source zone

  • fixes in exception handling in linear.farfield

  • fixed incorrect sign of magnetic field in new linear_py.nearfield

  • fixed non-cubic mesh representation problems in visu.structure_contour

breaking

  • functions in core_py and linear_py now require instances of core_py.simulation, structures.struct_py and fields must be using the new fields-API as defined in fields_py

  • new implementation of core.decay_rate has a different, hopefully easier API

  • structure generators yield geometries positioned at H=step/2. Before, formerly this was automatically done in the constructor of structures.struct, so in normal use-cases this change should not be an issue.

  • removed the inefficient/redundant solvers “superlu”, “pinv2” and “skcuda” to clean the code.

  • removed deprecated EO1 submodule, which was based on the no longer maintained pygmo1 package

[v1.0.11.1] - 2020-05-05

fixes

  • fixed pypi multi-dist source package

[v1.0.11] - 2020-02-25

breaking

  • internal API changes in core: re-structured scatter and get_generalized_propagator. The latter now takes a sim instance as input. The order of kwargs was changed.

added

  • added a geometry consistency check to structure class

  • new module linear_py with experimental pure python implementations of all linear functions

  • optional radiative correction term in “linear_py.extinct” (can improve absorption section with large stepsizes)

  • visu: 2D plotting functions try to determine the best 2D projection automatically

  • started writing unit tests

  • callback function support for core.scatter

changes

  • conversion to pure python of some helper functions

  • some internal modifications for pygdmUI GUI support

fixes

  • fixed geometry consistency-test routine for multi-material structures

  • fixes in autoscaling in visu.structure (TODO: adapt to screen dpi)

  • fixed bug in “linear.farfield” in cases when n2>n1 (“environment” optically denser than “substrate”)

  • potentially breaking!!: fixed several structures, where “hex” meshing gave a wrong height. Attention, following structure generators may now produce different heights: lshape_rect, lshape_rect_nonsym, lshape_round, split_ring, rect_split_ring

  • some code cleaning

  • minor fixes in several visualization tools

[v1.0.10.1] - 2019-10-08

added

  • materials.hyperdopedFromFile: materials class, which adds doping to any tabulated dielectric permittivity (contributed by C. Majorel)

fixes

  • fixed bug in “linear.farfield”, causing zero scattering at angles teta > 3pi / 2

[v1.0.10] - 2019-10-02

added

  • linear.optical_chirality: chirality of the electromagnetic field (experimental feature)

  • new structure generator polygon

  • tools.combine_simulations: tool to combine the structures of several simulations into a single simulation. Combining simulations with calculated fields, this also allows to analyze how structures behave if optical interactions are artificially deactivated.

  • added support for “cupy” GPU solver (req. version 7+) as alternative to “pycuda”

  • added experimental pure-python implementation of propagators and coupling matrix initialization routines based on “numba” (by default pygdm is still using the former fortran implementation)

  • added experimental support for tensorial material permittivity

fixes

  • critical fix in “linear.extinct”: Works correctly now for environments n2!=1

  • corrected phase of B-field in field generators “planewave” and “gaussian”

  • fieldindex-search: works now with strings as fieldgenerator kwargs

  • added exception handling to “linear.farfield” for simulation configurations where the underlying approximations don’t apply

[v1.0.9] - 2019-08-22

no more compiled binaries for python 2.7 (compilation from source still possible)

fixes

  • critical fix in linear.farfield: works correctly now also for non-vacuum environment above the substrate (refractive index n2 != 1)

[v1.0.8] - 2019-06-07

added

  • multipole decomposition (dipole and quadrupole moments)

  • elliptic polarization in field generators “planewave”, “focused” and “gaussian”

  • new materials: hyperdopedSilicon and hyperdopedConstantDielectric (contributed by C. Majorel)

  • extended capabilities for “visu3d.animate_vectorfield” and according documentation

  • zero-field generator

fixes

  • linear.farfield: scattering into a substrate now correctly calculated (contributed by C. Majorel)

  • python3 compatibility: fixed structure generator problem with hexagonal meshing and some float parameters. Also fixed the python 3.X compatibility of the examplescripts.

  • fixed a bug in silver dispersion

  • numerous small fixes and docstring improvements

[v1.0.7] - 2018-11-20

added

  • experimental CUDA support for matrix inversion on GPU (method “cuda”)

  • structure generators:
    • “prism” now supports truncated edges

    • “spheroid”

fixes

  • MAJOR: fix absolute import error in “visu3d”module, which was broken in former version

  • minor fix in struct class, treats lists of wavelengths correctly now (was not affecting pyGDM itself. Failed if a struct instance was externally used with a list of wavelengths)

[v1.0.6] - 2018-10-31

added

  • compatibility with python3 (compatible with python 2 and 3 now)

  • default inversion method is now in-place LU decomposition: reduces memory requirement by ~40%

  • added some tools to simplify intensity calculation

fixes

  • fix in visu.animate: Works now glitch-less with any user-defined framerate

  • minor fix: all classes now initialize with single precision by default.

[v1.0.5] - 2018-07-9

fixes

  • critical fix in hdf5 saving / loading. hdf5-data was corrupted during saving/reloading. Works now.

minor

  • by default, multithreading disabled in MPI-version of “scatter”. Using SLURM, MPI and pathos seems to conflict which results in major performance drop

[v1.0.4] - 2018-06-07

added

  • multi-threading support via “thanos” in generalized propagator operations. This drastically increases the speed of raster-scan simulations on multi-core systems.

  • hdf5 support for saving/loading simulations
    • doubles the speed for writing, triples speed for reading

    • by default, using “blosc” compression, reduces the filesize by ~ 50%

  • hexagonal meshing support in “image_to_struct”

  • support for scipy < V0.17 in “decay”

[v1.0.3] - 2018-04-06

added

  • intallation instructions for MacOSX

[v1.0.2] - 2018-03-29

added

  • “visu.structure” does automatic multi-structure plots

  • compile option for compilation without openmp

  • several structure models

  • hardcoded silver dielectric function

fixes

  • in “visu.vectorfield_color”, fixed an error in the calculation of the field intensity

[v1.0.1] - 2018-02-13

fixes

  • fixes in “setup.py” script