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
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#param kmin 3.0
#param kmax 15.0
#param kweight 2
#param dk 4.0
#param window kaiser
#param rmin 1.4
#param rmax 3.0
#param dr 0.0
#param rwindow hanning
#param nfft 2048
#param kstep 0.05
#param fitspace k
#param epsilon_k 0.001
#param epsilon_r 0.024578406199267346
#param n_idp 13.223099629457565
#path feff0001.dat 1.0 0.0 0.0 0.003 0.0 0.0 0.0
#path feff0002.dat 1.0 0.0 0.0 0.005 0.0 0.0 0.0
#begin data_k
0.0
0.05
0.1
0.15000000000000002
0.2
0.25
0.30000000000000004
0.35000000000000003
0.4
0.45
0.5
0.55
0.6000000000000001
0.65
0.7000000000000001
0.75
0.8
0.8500000000000001
0.9
0.9500000000000001
1.0
1.05
1.1
1.1500000000000001
1.2000000000000002
1.25
1.3
1.35
1.4000000000000001
1.4500000000000002
1.5
1.55
1.6
1.6500000000000001
1.7000000000000002
1.75
1.8
1.85
1.9000000000000001
1.9500000000000002
2.0
2.0500000000000003
2.1
2.15
2.2
2.25
2.3000000000000003
2.35
2.4000000000000004
2.45
2.5
2.5500000000000003
2.6
2.6500000000000004
2.7
2.75
2.8000000000000003
2.85
2.9000000000000004
2.95
3.0
3.0500000000000003
3.1
3.1500000000000004
3.2
3.25
3.3000000000000003
3.35
3.4000000000000004
3.45
3.5
3.5500000000000003
3.6
3.6500000000000004
3.7
3.75
3.8000000000000003
3.85
3.9000000000000004
3.95
4.0
4.05
4.1000000000000005
4.15
4.2
4.25
4.3
4.3500000000000005
4.4
4.45
4.5
4.55
4.6000000000000005
4.65
4.7
4.75
4.800000000000001
4.8500000000000005
4.9
4.95
5.0
5.050000000000001
5.1000000000000005
5.15
5.2
5.25
5.300000000000001
5.3500000000000005
5.4
5.45
5.5
5.550000000000001
5.6000000000000005
5.65
5.7
5.75
5.800000000000001
5.8500000000000005
5.9
5.95
6.0
6.050000000000001
6.1000000000000005
6.15
6.2
6.25
6.300000000000001
6.3500000000000005
6.4
6.45
6.5
6.550000000000001
6.6000000000000005
6.65
6.7
6.75
6.800000000000001
6.8500000000000005
6.9
6.95
7.0
7.050000000000001
7.1000000000000005
7.15
7.2
7.25
7.300000000000001
7.3500000000000005
7.4
7.45
7.5
7.550000000000001
7.6000000000000005
7.65
7.7
7.75
7.800000000000001
7.8500000000000005
7.9
7.95
8.0
8.05
8.1
8.15
8.200000000000001
8.25
8.3
8.35
8.4
8.450000000000001
8.5
8.55
8.6
8.65
8.700000000000001
8.75
8.8
8.85
8.9
8.950000000000001
9.0
9.05
9.1
9.15
9.200000000000001
9.25
9.3
9.35
9.4
9.450000000000001
9.5
9.55
9.600000000000001
9.65
9.700000000000001
9.75
9.8
9.850000000000001
9.9
9.950000000000001
10.0
10.05
10.100000000000001
10.15
10.200000000000001
10.25
10.3
10.350000000000001
10.4
10.450000000000001
10.5
10.55
10.600000000000001
10.65
10.700000000000001
10.75
10.8
10.850000000000001
10.9
10.950000000000001
11.0
11.05
11.100000000000001
11.15
11.200000000000001
11.25
11.3
11.350000000000001
11.4
11.450000000000001
11.5
11.55
11.600000000000001
11.65
11.700000000000001
11.75
11.8
11.850000000000001
11.9
11.950000000000001
12.0
12.05
12.100000000000001
12.15
12.200000000000001
12.25
12.3
12.350000000000001
12.4
12.450000000000001
12.5
12.55
12.600000000000001
12.65
12.700000000000001
12.75
12.8
12.850000000000001
12.9
12.950000000000001
13.0
13.05
13.100000000000001
13.15
13.200000000000001
13.25
13.3
13.350000000000001
13.4
13.450000000000001
13.5
13.55
13.600000000000001
13.65
13.700000000000001
13.75
13.8
13.850000000000001
13.9
13.950000000000001
14.0
14.05
14.100000000000001
14.15
14.200000000000001
14.25
14.3
14.350000000000001
14.4
14.450000000000001
14.5
14.55
14.600000000000001
14.65
14.700000000000001
14.75
14.8
14.850000000000001
14.9
14.950000000000001
15.0
15.05
15.100000000000001
15.15
15.200000000000001
15.25
15.3
15.350000000000001
15.4
15.450000000000001
15.5
15.55
15.600000000000001
15.65
15.700000000000001
15.75
15.8
15.850000000000001
15.9
15.950000000000001
16.0
16.05
16.1
16.150000000000002
16.2
16.25
16.3
16.35
16.400000000000002
16.45
16.5
16.55
16.6
16.650000000000002
16.7
16.75
16.8
16.85
16.900000000000002
16.95
17.0
17.05
17.1
17.150000000000002
17.2
17.25
17.3
17.35
17.400000000000002
17.45
17.5
17.55
17.6
17.650000000000002
17.7
17.75
17.8
17.85
17.900000000000002
17.95
18.0
18.05
18.1
18.150000000000002
18.2
18.25
18.3
18.35
18.400000000000002
18.45
18.5
18.55
18.6
18.650000000000002
18.7
18.75
18.8
18.85
18.900000000000002
18.95
19.0
19.05
19.1
19.150000000000002
19.200000000000003
19.25
19.3
19.35
19.400000000000002
19.450000000000003
19.5
19.55
19.6
19.650000000000002
19.700000000000003
19.75
19.8
19.85
19.900000000000002
19.950000000000003
20.0
#end
#begin data_chi
-0.252415580986698
-0.25310741992076335
-0.2537992588548288
-0.25494208950974173
-0.2565213663875944
-0.2585182709406876
-0.2609110754000662
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-0.27023076986293987
-0.2739685308204686
-0.2779646183970351
-0.2821201695393245
-0.28124453743714106
-0.27536501056843843
-0.2695696332955617
-0.2637595796554505
-0.257763333117323
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-0.24424748347864
-0.23612778630058306
-0.2265824025572839
-0.21525653448487017
-0.2018013339095821
-0.18578447519532323
-0.1669179469169951
-0.14508281582912963
-0.120243330713195
-0.0924950389693315
-0.062080657107754046
-0.02944230396135924
0.004813106010464321
0.03980874074979689
0.07436007391397628
0.1072888322646963
0.1374396866565247
0.16361207591434154
0.18466216488308176
0.19941213124074209
0.20687903680712855
0.20662819175275396
0.19860456904088444
0.18314461003577648
0.16085926797485417
0.13254617127381124
0.099668778542989
0.06410970096494745
0.028268649263890964
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