v1.4.2

NESSie v1.4.2

Diff since v1.4.1

Merged pull requests:

• Backports 1.4.2 (#11) (@tkemmer)
• Documentation updates and fixes (#10) (@tkemmer)
• Base: fix ∇φmol w/ empty charge lists (#17) (@tkemmer)
• Fixes for NonlocalXieModel1 (#25) (@tkemmer)

Closed issues:

• Wrong return value/type for ∇φmol w/ empty charge list (#16)
• TestModel.scalemodel fails for single-charge systems (#21)
• NonlocalXieModel1: origin as observation point yields wrong energies (#22)
• NonlocalXieModel1: precomputation of coefficients fails if charges are located in the origin (#23)
• NonlocalXieModel1: different born potential definitions used for charges (not) located at the origin (#24)

v1.4.1

NESSie v1.4.1

Diff since v1.4.0

Merged pull requests:

• BEM: use :static scheduling for implicit solvers (#8) (@tkemmer)
• Backports v1.4.1 (#6) (@tkemmer)

Closed issues:

• Implicit: task migration might corrupt dat caches (#7)

v1.4.0

NESSie v1.4.0

Diff since v1.3.3

Merged pull requests:

• BEM: unify solver interface, switch to GMRES as new default (#2)

v1.3.3

• BEM: fix explicit nonlocal solver ({BLAS => LinearAlgebra}.axpy!) (2a0ddd0)

Full Changelog: v1.3.2...v1.3.3

v1.3.2

• Minor fixes and improvements

Full Changelog: v1.3.1...v1.3.2

v1.3.1

• BEM: avoid vector/matrix copies in nonlocal solver (777003f)
• BEM: fix ambiguity for matrix multiplication w/ interaction matrices (dc8f811)

Full Changelog: v1.3.0...v1.3.1

v1.3.0

• Greatly reduce the number of required allocations for all solvers (09efee4, 11c301f, 0c17e66, df4ec69)
• Add fast dot products and Euclidean distances for 3-element vectors (206cfa0, 798ce1e)
• Add writeobj (Wavefront OBJ) support (3a27de1, 1f61e8c)
• Move documentation to docs directory (c94fcce)
• Extend quadraturepoints to compute points on triangles (af0f6bc, 618bfde, 3d2deed)
• Make more functions accept abstract arrays (1db7a8a, c46c9df, 5e7462d)
• Use JSON3 instead of JSON (dfb10de)
• Un-deprecate regularyukawacoll (a2c8894)
• Stop pirating Base functions (82fddd8, 461ee0c, 1ce37aa, 154e4a6)
• Fix vertex orphans in readstl() (e5ca897)
• Fix readback test utility (1b90594)
• Fix long strings for Julia 1.6 (335604b)
• Minor fixes and improvements

Full Changelog: v1.2.1...v1.3.0

v1.2.2 (EOL)

This is the final release of the v1.2 series. Please upgrade!

• Fix vertex orphans in readstl() (72b2890)
• Fix readback test utility (287bd30)
• Minor fixes and improvements

Full Changelog: v1.2.1...v1.2.2

v1.2.1

Improvements

• Update compat

Fixes

• Fix left division operation for Julia 1.9

v1.2.0

Features

• Local and nonlocal BEM solvers for implicit system representations (solve_implicit)
• Improved Float32 handling
• Surface model import from STL format
• Surface model export to HMO format
• GitHub action for automated documentation builds

Fixes

• Minor fixes and improvements