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View Code? Open in Web Editor NEWMultiple Sphere T Matrix code
License: MIT License
mstm's Introduction
Hi! Located here are the files for the multiple sphere T matrix fortran-90 code, D. W Mackowski et al. I have included a couple of windows batch files for compiling the code in serial or parallel mode. For either you will need to install the gfortran compiler, and for the parallel mode you will need to have installed the MSMPI libraries; see the manual for more details.
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Question about output file
Hello,
thank you for this useful project!
I have already read the documentation, however, I still have a question about the output file (see below) when random_orientation is set to true:
Here, the total cross sections are given, however, I do not really understand that since the (I guess orientation averaged) cross sections of the single spheres also given in the file do not add up to this value? Are these total values rather the averaged orientation averaged cross sections for one sphere in the aggregate?
Many thanks in advance!
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mstm calculation results
date, time:
20231116 074944.222
input file:
mstm-01.inp
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input variables for run 1
sphere data input file:
frac_agg.pos
number spheres
10
length, ref index scale factors
5.0000000E-01 1.6000000E+00 1.0000000E-01
volume cluster radius, area mean sphere radius, circumscribing radius, cross section radius
1.0772173E+00 5.0000000E-01 4.1756208E+00 1.0772173E+00
sphere properties and associations
sphere host layer radius x y z ref indx
1 0 0 0.500 -2.076 0.693 2.054 1.6000E+00 1.0000E-01
2 0 0 0.500 -0.551 1.282 2.575 1.6000E+00 1.0000E-01
3 0 0 0.500 -1.409 1.287 3.088 1.6000E+00 1.0000E-01
4 0 0 0.500 -1.245 0.455 2.557 1.6000E+00 1.0000E-01
5 0 0 0.500 -1.790 1.995 2.493 1.6000E+00 1.0000E-01
6 0 0 0.500 -0.276 0.511 2.001 1.6000E+00 1.0000E-01
7 0 0 0.500 -1.797 -0.070 3.206 1.6000E+00 1.0000E-01
8 0 0 0.500 -1.762 -1.279 2.442 1.6000E+00 1.0000E-01
9 0 0 0.500 -1.102 -0.570 2.690 1.6000E+00 1.0000E-01
10 0 0 0.500 -1.674 -0.349 1.900 1.6000E+00 1.0000E-01
random orientation, estimated t matrix order:
7
layer 0 refractive index
1.0000E+00 0.0000E+00
number of plane boundaries
0
max_iterations,solution_epsilon, mie_epsilon
10000 1.0000E-06 1.0000E-06
maximum Mie order, number of equations:
3 300
mean sphere Mie extinction, absorption efficiencies
1.2713E-01 1.0663E-01
****************************************************
calculation results for run
1
number iterations, error, solution time
0 0.0000E+00 7.5000E-01
t matrix order:
6
sphere extinction, absorption, volume absorption efficiencies (unpolarized incidence)
sphere Qext Qabs Qvabs
1 2.3123E-01 1.1743E-01 1.1743E-01
2 2.3269E-01 1.2265E-01 1.2265E-01
3 2.4735E-01 1.2679E-01 1.2679E-01
4 3.0188E-01 1.3980E-01 1.3980E-01
5 1.9857E-01 1.1470E-01 1.1470E-01
6 2.1419E-01 1.1620E-01 1.1620E-01
7 2.3597E-01 1.1996E-01 1.1996E-01
8 2.0440E-01 1.1729E-01 1.1729E-01
9 2.5276E-01 1.2759E-01 1.2759E-01
10 2.3937E-01 1.2146E-01 1.2146E-01
total extinction, absorption, scattering efficiencies (unpolarized incidence)
5.0810E-01 2.6368E-01 2.4443E-01
total scattering
number directions, number SM elements:
181 6
theta 11 12 22 33 34 44
0.00 8.4717E-01 0.0000E+00 9.9811E-01 9.9811E-01 0.0000E+00 9.9622E-01
1.00 8.4692E-01 -1.4284E-04 9.9811E-01 9.9811E-01 1.3453E-06 9.9622E-01
2.00 8.4616E-01 -5.7145E-04 9.9810E-01 9.9810E-01 5.3823E-06 9.9622E-01
3.00 8.4489E-01 -1.2861E-03 9.9810E-01 9.9810E-01 1.2114E-05 9.9621E-01
4.00 8.4313E-01 -2.2871E-03 9.9810E-01 9.9810E-01 2.1545E-05 9.9620E-01
5.00 8.4086E-01 -3.5752E-03 9.9809E-01 9.9809E-01 3.3682E-05 9.9619E-01
6.00 8.3811E-01 -5.1510E-03 9.9809E-01 9.9808E-01 4.8535E-05 9.9617E-01
7.00 8.3486E-01 -7.0154E-03 9.9808E-01 9.9806E-01 6.6113E-05 9.9615E-01
8.00 8.3113E-01 -9.1696E-03 9.9808E-01 9.9803E-01 8.6430E-05 9.9612E-01
9.00 8.2693E-01 -1.1615E-02 9.9807E-01 9.9800E-01 1.0950E-04 9.9608E-01
10.00 8.2227E-01 -1.4352E-02 9.9806E-01 9.9795E-01 1.3534E-04 9.9603E-01
11.00 8.1714E-01 -1.7383E-02 9.9805E-01 9.9790E-01 1.6397E-04 9.9596E-01
12.00 8.1158E-01 -2.0710E-02 9.9804E-01 9.9782E-01 1.9540E-04 9.9588E-01
13.00 8.0558E-01 -2.4334E-02 9.9802E-01 9.9773E-01 2.2966E-04 9.9577E-01
14.00 7.9916E-01 -2.8258E-02 9.9801E-01 9.9761E-01 2.6677E-04 9.9565E-01
15.00 7.9232E-01 -3.2482E-02 9.9799E-01 9.9747E-01 3.0676E-04 9.9549E-01
16.00 7.8510E-01 -3.7011E-02 9.9798E-01 9.9729E-01 3.4966E-04 9.9530E-01
17.00 7.7749E-01 -4.1845E-02 9.9796E-01 9.9708E-01 3.9548E-04 9.9508E-01
18.00 7.6951E-01 -4.6988E-02 9.9794E-01 9.9684E-01 4.4427E-04 9.9482E-01
19.00 7.6119E-01 -5.2442E-02 9.9792E-01 9.9654E-01 4.9604E-04 9.9452E-01
20.00 7.5252E-01 -5.8209E-02 9.9790E-01 9.9620E-01 5.5083E-04 9.9416E-01
21.00 7.4354E-01 -6.4293E-02 9.9788E-01 9.9581E-01 6.0868E-04 9.9375E-01
22.00 7.3426E-01 -7.0696E-02 9.9786E-01 9.9535E-01 6.6962E-04 9.9327E-01
23.00 7.2469E-01 -7.7420E-02 9.9783E-01 9.9483E-01 7.3368E-04 9.9273E-01
24.00 7.1485E-01 -8.4470E-02 9.9781E-01 9.9423E-01 8.0089E-04 9.9211E-01
25.00 7.0476E-01 -9.1848E-02 9.9778E-01 9.9354E-01 8.7130E-04 9.9141E-01
26.00 6.9445E-01 -9.9557E-02 9.9775E-01 9.9277E-01 9.4493E-04 9.9062E-01
27.00 6.8391E-01 -1.0760E-01 9.9772E-01 9.9190E-01 1.0218E-03 9.8973E-01
28.00 6.7318E-01 -1.1598E-01 9.9769E-01 9.9093E-01 1.1020E-03 9.8873E-01
29.00 6.6227E-01 -1.2470E-01 9.9766E-01 9.8983E-01 1.1855E-03 9.8761E-01
30.00 6.5121E-01 -1.3376E-01 9.9762E-01 9.8862E-01 1.2724E-03 9.8637E-01
31.00 6.4000E-01 -1.4317E-01 9.9759E-01 9.8726E-01 1.3627E-03 9.8499E-01
32.00 6.2867E-01 -1.5292E-01 9.9755E-01 9.8576E-01 1.4564E-03 9.8346E-01
33.00 6.1723E-01 -1.6303E-01 9.9751E-01 9.8410E-01 1.5535E-03 9.8178E-01
34.00 6.0571E-01 -1.7349E-01 9.9747E-01 9.8227E-01 1.6542E-03 9.7992E-01
35.00 5.9411E-01 -1.8430E-01 9.9743E-01 9.8025E-01 1.7583E-03 9.7788E-01
36.00 5.8246E-01 -1.9547E-01 9.9738E-01 9.7804E-01 1.8660E-03 9.7564E-01
37.00 5.7078E-01 -2.0700E-01 9.9734E-01 9.7562E-01 1.9772E-03 9.7318E-01
38.00 5.5908E-01 -2.1888E-01 9.9729E-01 9.7297E-01 2.0920E-03 9.7051E-01
39.00 5.4737E-01 -2.3113E-01 9.9724E-01 9.7008E-01 2.2104E-03 9.6759E-01
40.00 5.3568E-01 -2.4373E-01 9.9719E-01 9.6694E-01 2.3323E-03 9.6441E-01
41.00 5.2401E-01 -2.5670E-01 9.9713E-01 9.6352E-01 2.4578E-03 9.6096E-01
42.00 5.1239E-01 -2.7002E-01 9.9708E-01 9.5981E-01 2.5868E-03 9.5722E-01
43.00 5.0082E-01 -2.8370E-01 9.9702E-01 9.5580E-01 2.7194E-03 9.5317E-01
44.00 4.8933E-01 -2.9774E-01 9.9696E-01 9.5145E-01 2.8555E-03 9.4879E-01
45.00 4.7792E-01 -3.1213E-01 9.9689E-01 9.4676E-01 2.9950E-03 9.4407E-01
46.00 4.6660E-01 -3.2686E-01 9.9683E-01 9.4171E-01 3.1381E-03 9.3898E-01
47.00 4.5539E-01 -3.4194E-01 9.9676E-01 9.3627E-01 3.2844E-03 9.3350E-01
48.00 4.4431E-01 -3.5736E-01 9.9669E-01 9.3042E-01 3.4341E-03 9.2761E-01
49.00 4.3335E-01 -3.7311E-01 9.9662E-01 9.2413E-01 3.5871E-03 9.2129E-01
50.00 4.2253E-01 -3.8918E-01 9.9654E-01 9.1740E-01 3.7432E-03 9.1452E-01
51.00 4.1187E-01 -4.0556E-01 9.9646E-01 9.1019E-01 3.9023E-03 9.0728E-01
52.00 4.0136E-01 -4.2225E-01 9.9638E-01 9.0248E-01 4.0643E-03 8.9953E-01
53.00 3.9103E-01 -4.3922E-01 9.9630E-01 8.9425E-01 4.2291E-03 8.9126E-01
54.00 3.8086E-01 -4.5647E-01 9.9621E-01 8.8547E-01 4.3965E-03 8.8245E-01
55.00 3.7088E-01 -4.7398E-01 9.9613E-01 8.7612E-01 4.5663E-03 8.7306E-01
56.00 3.6109E-01 -4.9174E-01 9.9603E-01 8.6617E-01 4.7384E-03 8.6308E-01
57.00 3.5150E-01 -5.0971E-01 9.9594E-01 8.5561E-01 4.9125E-03 8.5248E-01
58.00 3.4210E-01 -5.2789E-01 9.9584E-01 8.4439E-01 5.0884E-03 8.4123E-01
59.00 3.3291E-01 -5.4625E-01 9.9574E-01 8.3251E-01 5.2658E-03 8.2931E-01
60.00 3.2393E-01 -5.6477E-01 9.9564E-01 8.1994E-01 5.4444E-03 8.1671E-01
61.00 3.1516E-01 -5.8341E-01 9.9553E-01 8.0665E-01 5.6240E-03 8.0339E-01
62.00 3.0660E-01 -6.0215E-01 9.9542E-01 7.9262E-01 5.8042E-03 7.8933E-01
63.00 2.9827E-01 -6.2096E-01 9.9531E-01 7.7783E-01 5.9846E-03 7.7451E-01
64.00 2.9015E-01 -6.3979E-01 9.9520E-01 7.6226E-01 6.1649E-03 7.5891E-01
65.00 2.8225E-01 -6.5863E-01 9.9508E-01 7.4589E-01 6.3446E-03 7.4251E-01
66.00 2.7458E-01 -6.7742E-01 9.9496E-01 7.2870E-01 6.5234E-03 7.2530E-01
67.00 2.6712E-01 -6.9612E-01 9.9483E-01 7.1068E-01 6.7008E-03 7.0726E-01
68.00 2.5989E-01 -7.1470E-01 9.9471E-01 6.9181E-01 6.8762E-03 6.8838E-01
69.00 2.5288E-01 -7.3310E-01 9.9458E-01 6.7208E-01 7.0492E-03 6.6864E-01
70.00 2.4610E-01 -7.5128E-01 9.9445E-01 6.5149E-01 7.2194E-03 6.4803E-01
71.00 2.3953E-01 -7.6920E-01 9.9431E-01 6.3002E-01 7.3860E-03 6.2656E-01
72.00 2.3318E-01 -7.8679E-01 9.9418E-01 6.0768E-01 7.5487E-03 6.0422E-01
73.00 2.2704E-01 -8.0401E-01 9.9404E-01 5.8447E-01 7.7068E-03 5.8100E-01
74.00 2.2112E-01 -8.2081E-01 9.9390E-01 5.6038E-01 7.8598E-03 5.5692E-01
75.00 2.1541E-01 -8.3713E-01 9.9376E-01 5.3543E-01 8.0070E-03 5.3198E-01
76.00 2.0991E-01 -8.5291E-01 9.9361E-01 5.0964E-01 8.1479E-03 5.0620E-01
77.00 2.0462E-01 -8.6810E-01 9.9347E-01 4.8301E-01 8.2820E-03 4.7959E-01
78.00 1.9953E-01 -8.8264E-01 9.9332E-01 4.5556E-01 8.4085E-03 4.5217E-01
79.00 1.9463E-01 -8.9649E-01 9.9317E-01 4.2733E-01 8.5270E-03 4.2397E-01
80.00 1.8994E-01 -9.0957E-01 9.9302E-01 3.9833E-01 8.6369E-03 3.9501E-01
81.00 1.8543E-01 -9.2186E-01 9.9288E-01 3.6862E-01 8.7377E-03 3.6534E-01
82.00 1.8111E-01 -9.3328E-01 9.9273E-01 3.3821E-01 8.8287E-03 3.3499E-01
83.00 1.7697E-01 -9.4379E-01 9.9258E-01 3.0716E-01 8.9097E-03 3.0400E-01
84.00 1.7301E-01 -9.5335E-01 9.9243E-01 2.7552E-01 8.9801E-03 2.7241E-01
85.00 1.6923E-01 -9.6192E-01 9.9228E-01 2.4333E-01 9.0395E-03 2.4030E-01
86.00 1.6561E-01 -9.6944E-01 9.9213E-01 2.1064E-01 9.0875E-03 2.0769E-01
87.00 1.6216E-01 -9.7590E-01 9.9198E-01 1.7753E-01 9.1238E-03 1.7467E-01
88.00 1.5888E-01 -9.8125E-01 9.9184E-01 1.4405E-01 9.1482E-03 1.4127E-01
89.00 1.5574E-01 -9.8547E-01 9.9169E-01 1.1025E-01 9.1604E-03 1.0759E-01
90.00 1.5276E-01 -9.8854E-01 9.9155E-01 7.6225E-02 9.1603E-03 7.3665E-02
91.00 1.4993E-01 -9.9044E-01 9.9141E-01 4.2024E-02 9.1478E-03 3.9581E-02
92.00 1.4724E-01 -9.9116E-01 9.9127E-01 7.7238E-03 9.1229E-03 5.4054E-03
93.00 1.4468E-01 -9.9070E-01 9.9114E-01 -2.6606E-02 9.0856E-03 -2.8792E-02
94.00 1.4226E-01 -9.8905E-01 9.9100E-01 -6.0893E-02 9.0360E-03 -6.2940E-02
95.00 1.3997E-01 -9.8622E-01 9.9087E-01 -9.5068E-02 8.9743E-03 -9.6968E-02
96.00 1.3780E-01 -9.8222E-01 9.9075E-01 -1.2906E-01 8.9007E-03 -1.3080E-01
97.00 1.3575E-01 -9.7707E-01 9.9063E-01 -1.6280E-01 8.8154E-03 -1.6438E-01
98.00 1.3381E-01 -9.7079E-01 9.9051E-01 -1.9621E-01 8.7189E-03 -1.9763E-01
99.00 1.3198E-01 -9.6340E-01 9.9039E-01 -2.2925E-01 8.6115E-03 -2.3049E-01
100.00 1.3027E-01 -9.5495E-01 9.9028E-01 -2.6183E-01 8.4937E-03 -2.6289E-01
101.00 1.2865E-01 -9.4546E-01 9.9017E-01 -2.9391E-01 8.3659E-03 -2.9478E-01
102.00 1.2713E-01 -9.3497E-01 9.9007E-01 -3.2542E-01 8.2287E-03 -3.2611E-01
103.00 1.2570E-01 -9.2353E-01 9.8997E-01 -3.5632E-01 8.0828E-03 -3.5681E-01
104.00 1.2436E-01 -9.1118E-01 9.8988E-01 -3.8656E-01 7.9285E-03 -3.8685E-01
105.00 1.2311E-01 -8.9798E-01 9.8978E-01 -4.1609E-01 7.7667E-03 -4.1617E-01
106.00 1.2194E-01 -8.8398E-01 9.8970E-01 -4.4488E-01 7.5980E-03 -4.4475E-01
107.00 1.2085E-01 -8.6922E-01 9.8962E-01 -4.7289E-01 7.4229E-03 -4.7254E-01
108.00 1.1984E-01 -8.5377E-01 9.8954E-01 -5.0009E-01 7.2423E-03 -4.9952E-01
109.00 1.1889E-01 -8.3769E-01 9.8947E-01 -5.2646E-01 7.0567E-03 -5.2566E-01
110.00 1.1801E-01 -8.2102E-01 9.8940E-01 -5.5197E-01 6.8669E-03 -5.5095E-01
111.00 1.1720E-01 -8.0383E-01 9.8933E-01 -5.7660E-01 6.6735E-03 -5.7536E-01
112.00 1.1645E-01 -7.8617E-01 9.8927E-01 -6.0036E-01 6.4771E-03 -5.9888E-01
113.00 1.1575E-01 -7.6810E-01 9.8921E-01 -6.2322E-01 6.2785E-03 -6.2151E-01
114.00 1.1511E-01 -7.4968E-01 9.8916E-01 -6.4519E-01 6.0782E-03 -6.4325E-01
115.00 1.1453E-01 -7.3095E-01 9.8911E-01 -6.6626E-01 5.8769E-03 -6.6409E-01
116.00 1.1399E-01 -7.1197E-01 9.8906E-01 -6.8644E-01 5.6752E-03 -6.8403E-01
117.00 1.1350E-01 -6.9280E-01 9.8902E-01 -7.0573E-01 5.4735E-03 -7.0309E-01
118.00 1.1305E-01 -6.7347E-01 9.8898E-01 -7.2414E-01 5.2724E-03 -7.2127E-01
119.00 1.1265E-01 -6.5404E-01 9.8894E-01 -7.4169E-01 5.0725E-03 -7.3858E-01
120.00 1.1228E-01 -6.3455E-01 9.8891E-01 -7.5839E-01 4.8742E-03 -7.5505E-01
121.00 1.1196E-01 -6.1504E-01 9.8887E-01 -7.7426E-01 4.6779E-03 -7.7068E-01
122.00 1.1166E-01 -5.9556E-01 9.8884E-01 -7.8931E-01 4.4841E-03 -7.8550E-01
123.00 1.1140E-01 -5.7614E-01 9.8882E-01 -8.0357E-01 4.2931E-03 -7.9952E-01
124.00 1.1117E-01 -5.5681E-01 9.8879E-01 -8.1705E-01 4.1052E-03 -8.1278E-01
125.00 1.1097E-01 -5.3761E-01 9.8877E-01 -8.2978E-01 3.9209E-03 -8.2528E-01
126.00 1.1080E-01 -5.1858E-01 9.8875E-01 -8.4179E-01 3.7402E-03 -8.3707E-01
127.00 1.1065E-01 -4.9973E-01 9.8873E-01 -8.5310E-01 3.5636E-03 -8.4815E-01
128.00 1.1052E-01 -4.8109E-01 9.8872E-01 -8.6373E-01 3.3911E-03 -8.5856E-01
129.00 1.1042E-01 -4.6269E-01 9.8870E-01 -8.7371E-01 3.2231E-03 -8.6832E-01
130.00 1.1033E-01 -4.4455E-01 9.8869E-01 -8.8307E-01 3.0596E-03 -8.7746E-01
131.00 1.1027E-01 -4.2669E-01 9.8868E-01 -8.9183E-01 2.9008E-03 -8.8600E-01
132.00 1.1022E-01 -4.0912E-01 9.8867E-01 -9.0001E-01 2.7469E-03 -8.9398E-01
133.00 1.1019E-01 -3.9187E-01 9.8866E-01 -9.0765E-01 2.5978E-03 -9.0141E-01
134.00 1.1018E-01 -3.7494E-01 9.8865E-01 -9.1476E-01 2.4537E-03 -9.0832E-01
135.00 1.1017E-01 -3.5835E-01 9.8865E-01 -9.2138E-01 2.3146E-03 -9.1474E-01
136.00 1.1018E-01 -3.4211E-01 9.8864E-01 -9.2753E-01 2.1805E-03 -9.2069E-01
137.00 1.1021E-01 -3.2623E-01 9.8864E-01 -9.3323E-01 2.0514E-03 -9.2620E-01
138.00 1.1024E-01 -3.1072E-01 9.8863E-01 -9.3851E-01 1.9273E-03 -9.3128E-01
139.00 1.1028E-01 -2.9558E-01 9.8863E-01 -9.4339E-01 1.8083E-03 -9.3597E-01
140.00 1.1033E-01 -2.8082E-01 9.8863E-01 -9.4788E-01 1.6942E-03 -9.4029E-01
141.00 1.1039E-01 -2.6644E-01 9.8862E-01 -9.5202E-01 1.5849E-03 -9.4425E-01
142.00 1.1045E-01 -2.5245E-01 9.8862E-01 -9.5583E-01 1.4805E-03 -9.4788E-01
143.00 1.1052E-01 -2.3885E-01 9.8862E-01 -9.5932E-01 1.3809E-03 -9.5119E-01
144.00 1.1060E-01 -2.2565E-01 9.8862E-01 -9.6251E-01 1.2859E-03 -9.5422E-01
145.00 1.1068E-01 -2.1284E-01 9.8862E-01 -9.6542E-01 1.1954E-03 -9.5697E-01
146.00 1.1076E-01 -2.0042E-01 9.8862E-01 -9.6808E-01 1.1095E-03 -9.5946E-01
147.00 1.1085E-01 -1.8840E-01 9.8862E-01 -9.7049E-01 1.0278E-03 -9.6172E-01
148.00 1.1094E-01 -1.7678E-01 9.8862E-01 -9.7268E-01 9.5046E-04 -9.6375E-01
149.00 1.1103E-01 -1.6554E-01 9.8862E-01 -9.7465E-01 8.7719E-04 -9.6558E-01
150.00 1.1112E-01 -1.5470E-01 9.8862E-01 -9.7643E-01 8.0792E-04 -9.6722E-01
151.00 1.1122E-01 -1.4425E-01 9.8862E-01 -9.7803E-01 7.4251E-04 -9.6868E-01
152.00 1.1131E-01 -1.3419E-01 9.8862E-01 -9.7947E-01 6.8085E-04 -9.6998E-01
153.00 1.1141E-01 -1.2452E-01 9.8862E-01 -9.8074E-01 6.2280E-04 -9.7113E-01
154.00 1.1150E-01 -1.1523E-01 9.8862E-01 -9.8188E-01 5.6823E-04 -9.7214E-01
155.00 1.1160E-01 -1.0632E-01 9.8862E-01 -9.8289E-01 5.1701E-04 -9.7303E-01
156.00 1.1169E-01 -9.7794E-02 9.8862E-01 -9.8377E-01 4.6901E-04 -9.7380E-01
157.00 1.1178E-01 -8.9641E-02 9.8863E-01 -9.8455E-01 4.2411E-04 -9.7446E-01
158.00 1.1187E-01 -8.1863E-02 9.8863E-01 -9.8523E-01 3.8217E-04 -9.7503E-01
159.00 1.1196E-01 -7.4455E-02 9.8863E-01 -9.8582E-01 3.4307E-04 -9.7552E-01
160.00 1.1205E-01 -6.7414E-02 9.8863E-01 -9.8633E-01 3.0670E-04 -9.7593E-01
161.00 1.1213E-01 -6.0739E-02 9.8863E-01 -9.8676E-01 2.7292E-04 -9.7627E-01
162.00 1.1221E-01 -5.4425E-02 9.8863E-01 -9.8713E-01 2.4163E-04 -9.7655E-01
163.00 1.1229E-01 -4.8470E-02 9.8863E-01 -9.8744E-01 2.1271E-04 -9.7678E-01
164.00 1.1236E-01 -4.2872E-02 9.8863E-01 -9.8770E-01 1.8605E-04 -9.7696E-01
165.00 1.1243E-01 -3.7628E-02 9.8863E-01 -9.8792E-01 1.6155E-04 -9.7710E-01
166.00 1.1250E-01 -3.2735E-02 9.8863E-01 -9.8809E-01 1.3912E-04 -9.7721E-01
167.00 1.1256E-01 -2.8190E-02 9.8864E-01 -9.8823E-01 1.1866E-04 -9.7728E-01
168.00 1.1262E-01 -2.3992E-02 9.8864E-01 -9.8835E-01 1.0008E-04 -9.7733E-01
169.00 1.1267E-01 -2.0139E-02 9.8864E-01 -9.8843E-01 8.3294E-05 -9.7737E-01
170.00 1.1272E-01 -1.6627E-02 9.8864E-01 -9.8850E-01 6.8234E-05 -9.7738E-01
171.00 1.1277E-01 -1.3456E-02 9.8864E-01 -9.8855E-01 5.4825E-05 -9.7738E-01
172.00 1.1281E-01 -1.0623E-02 9.8864E-01 -9.8858E-01 4.3004E-05 -9.7738E-01
173.00 1.1284E-01 -8.1277E-03 9.8864E-01 -9.8861E-01 3.2711E-05 -9.7737E-01
174.00 1.1288E-01 -5.9676E-03 9.8864E-01 -9.8862E-01 2.3897E-05 -9.7735E-01
175.00 1.1290E-01 -4.1420E-03 9.8864E-01 -9.8863E-01 1.6515E-05 -9.7733E-01
176.00 1.1293E-01 -2.6497E-03 9.8864E-01 -9.8864E-01 1.0527E-05 -9.7732E-01
177.00 1.1294E-01 -1.4900E-03 9.8864E-01 -9.8864E-01 5.9032E-06 -9.7730E-01
178.00 1.1296E-01 -6.6205E-04 9.8864E-01 -9.8864E-01 2.6178E-06 -9.7729E-01
179.00 1.1296E-01 -1.6549E-04 9.8864E-01 -9.8864E-01 6.5357E-07 -9.7728E-01
180.00 1.1297E-01 -4.1012E-15 9.8864E-01 -9.8864E-01 1.6191E-17 -9.7728E-01
Add LICENSE
It is suggested that an Open Source License file be added to the repository, e.g., the MIT License.
Here is a detailed guide for this.
Support for chiral factor removed in v4?
I did not see descriptions of the chiral factor in the manual of MSTM v4. Is it removed in v4?
`t_matrix_epsilon` option not supported
It is listed in the manual but cannot be found in the code.
How does the lattice mode determine output angles?
The output says scattering by periodic lattice at reciprocal lattice directions but I cannot find related information in the manual. Is there any reference for this determination I could turn to?
Thanks a lot!
Far-field spectra comparison
Thanks for releasing this new version!
I just happened to be needing a comparison with our TERMS program so I tested this new version. I was a bit confused by the different cross-sections in the output file (not sure what the " sphere-based total extinction, absorption, scattering efficiencies (unpolarized)" correspond to?) but eventually got there by summing the individual extinction and absorption cross-sections.
The structure is a helical strand of 8 Au spheres, 50nm in radius, in vacuum. I set Lmax to 12 (Mie truncation), which seems just enough. In TERMS I used a particle-centred formulation by Stout et al, which requires lower Lmax (no expansion about a common origin).
The temp_pos file is as follows
0.120000000000E+03, 0.000000000000E+00, -0.175000000000E+03, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
0.848528137424E+02, 0.848528137424E+02, -0.125000000000E+03, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
0.734788079488E-14, 0.120000000000E+03, -0.750000000000E+02, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
-0.848528137424E+02, 0.848528137424E+02, -0.250000000000E+02, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
-0.120000000000E+03, 0.146957615898E-13, 0.250000000000E+02, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
-0.848528137424E+02, -0.848528137424E+02, 0.750000000000E+02, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
-0.220436423847E-13, -0.120000000000E+03, 0.125000000000E+03, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
0.848528137424E+02, -0.848528137424E+02, 0.175000000000E+03, 0.500000000000E+02, ( 0.148077717605E+00, 0.492529106276E+01)
and for TERMS, the input file (full spectrum) reads
ModeAndScheme 2 3
Wavelength 380 820 100
MultipoleCutoff 12
Medium 1.0
ScattererCentredCrossSections
OutputFormat HDF5 terms
Scatterers 8
Au 1.200000e+02 0.000000e+00 -175 50
Au 8.485281e+01 8.485281e+01 -125 50
Au 7.347881e-15 1.200000e+02 -75 50
Au -8.485281e+01 8.485281e+01 -25 50
Au -1.200000e+02 1.469576e-14 25 50
Au -8.485281e+01 -8.485281e+01 75 50
Au -2.204364e-14 -1.200000e+02 125 50
Au 8.485281e+01 -8.485281e+01 175 50
I'll try a near-field comparison as well.
Python integration using F2PY
First and foremost, awesome work. I use MSTM with a Matlab wrapper, which generates the needed input file, executes the command, and parses the output file. Down the line, I switched to python and wanted to implement a similar approach, but then I found about f2py and was wondering if it would be possible to build an interface for python to bypass the creation of the input file and parsing of the output file.
I have zero experience with Fortran and was wondering if you could give me some hints about where I could inject/modify/expand the code with the f2py syntax to build an interface suitable for python. Extending it like this could also make it possible to use frameworks like numba or dask to make the parallelized execution on multiple threads or across an HPC cluster more flexible.
Scattering matrix for random orientation different from v3
According to On the concept of random orientation in far-field electromagnetic scattering by nonspherical particles (Mishchenko and Yurkin, 2017), the scattering matrix for random orientation should have 10 independent elements (11 12 13 14 22 23 24 33 34 44), and that was what v3 did. However, in v4, only 6 elements (11 12 22 33 34 44) were given.
Actual scattering matrix output angle range is -180 to 180 instead of 0 to 180
The behavior is different from the description of the manual.
Strategy threshold for random configuration
The manual says "random position sampling + acceptance/rejection (for volume fractions < 0.4)", but in the source code it is
if(targetfv.le.0.25d0.or.trystage1) thenShould the manual be corrected to 0.25? I have also tried implementing random sampling myself and can never reach a volume fraction larger than 0.3.
Optically active layers?
It seems that optically active layers are not supported yet, since layer_ref_index only contains N_B+1 numbers.
Incorrect theta value for random orientation
The theta value of the output scattering matrix is incorrect for random orientation. All are 0.0. See the example below.
Sphere T-Matrix
I noticed that sphere data cannot include the T-matrix filename in v4 (the manual says there can be 3, 4, 5, or 6 columns, but does not mention an extra string field for T-matrix), is this function deprecated?
By the way, I wonder if it is possible to precalculate the T-matrix of a nonspherical particle (use some other program) and use it in v3?
`run_print_file` option not supported
It is still listed in the manual, but after searching the code, I could not find it anywhere.
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