feffit 0.1.0

Pure-Rust EXAFS toolkit — data reduction (pre-edge/normalize/AUTOBK), Fourier transforms, FEFF path fitting (feffit), and feff.inp build/run; a port of larch.xafs
#case linear
#x 2.030000000004428 0.940000000002049
#fvec -0.059999999997951026 0.07000000000647688 -0.09999999998909459 0.23000000001533305 -0.1399999999802386
#fnorm 0.3016620625799668
#nfev 7
#info 3
#cov 0.09999999198070258 -0.19999998809705832 -0.19999998809705832 0.6000000006999225
#end
#case rosenbrock
#x 1.0 1.0
#fvec 0.0 0.0
#fnorm 0.0
#nfev 54
#info 2
#cov 1.0000000000043627 2.0000000149774415 2.0000000149774415 4.010000059893033
#end
#case rational
#x 2.3083198057823475 0.1073061815979354
#fvec 0.0009160382802781974 -0.015373503603810068 0.03614193251436726 -0.004611097362231975 -0.014672522132536225 -0.0071315245814328465
#fnorm 0.042788161826955155
#nfev 23
#info 1
#cov 1.8659437792514912 0.5525127020496784 0.5525127020496784 0.18635107463105735
#end
#case powell
#x 1.055131537879398e-11 -1.0551315378793979e-12 4.529532820779307e-12 4.529532820779307e-12
#fvec 0.0 0.0 1.0229698458455185e-22 1.146700861621333e-22
#fnorm 1.5366815452631401e-22
#nfev 1003
#info 5
#cov none
#end
#case expdecay
#x 2.488015545840747 0.43098554357883795
#fvec -0.011984454159252866 0.005699046062037194 0.01688244677537809 0.0034402403607025622 0.0007606558410426789 -0.002935499706561262 -0.01714395312692585
#fnorm 0.02785802245367212
#nfev 13
#info 1
#cov 0.6790804504859642 0.16709859248892472 0.16709859248892472 0.089802303602506
#end