core_shell_microgelsmagnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since 4073633 was
1c6286d,
checked in by Paul Kienzle <pkienzle@…>, 7 years ago
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lamellar stack/hg-stack caille: code tidying, changing loop terminator from 'i⇐N-1' to the more usual 'i<N'
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-
Property mode set to
100644
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File size:
1.4 KB
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Rev | Line | |
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[dc02af0] | 1 | /* LamellarCaille kernel - allows for name changes of passed parameters ... |
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| 2 | |
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| 3 | */ |
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| 4 | |
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[56b0435] | 5 | static double |
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| 6 | Iq(double qval, |
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| 7 | double del, |
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| 8 | double fp_Nlayers, |
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| 9 | double dd, |
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| 10 | double Cp, |
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| 11 | double sld, |
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| 12 | double solvent_sld) |
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[dc02af0] | 13 | { |
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[56b0435] | 14 | int Nlayers = (int)(fp_Nlayers+0.5); //cast to an integer for the loop |
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| 15 | double contr; //local variables of coefficient wave |
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[dc02af0] | 16 | double inten,Pq,Sq,alpha,temp,t2; |
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| 17 | //double dQ, dQDefault, t1, t3; |
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| 18 | // from wikipedia 0.577215664901532860606512090082402431042159335 |
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| 19 | const double Euler = 0.577215664901533; // Euler's constant, increased sig figs for new models Feb 2015 |
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| 20 | //dQDefault = 0.0; //[=] 1/A, q-resolution, default value |
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| 21 | //dQ = dQDefault; // REMOVED UNUSED dQ calculations for new models Feb 2015 |
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| 22 | |
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| 23 | contr = sld - solvent_sld; |
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| 24 | |
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| 25 | Pq = 2.0*contr*contr/qval/qval*(1.0-cos(qval*del)); |
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| 26 | |
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| 27 | Sq = 0.0; |
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[1c6286d] | 28 | for (int ii=1; ii < Nlayers; ii++) { |
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[dc02af0] | 29 | temp = 0.0; |
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| 30 | alpha = Cp/4.0/M_PI/M_PI*(log(M_PI*ii) + Euler); |
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| 31 | //t1 = 2.0*dQ*dQ*dd*dd*alpha; |
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| 32 | t2 = 2.0*qval*qval*dd*dd*alpha; |
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| 33 | //t3 = dQ*dQ*dd*dd*ii*ii; |
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| 34 | |
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[56b0435] | 35 | temp = 1.0 - (double)ii / (double)Nlayers; |
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[dc02af0] | 36 | //temp *= cos(dd*qval*ii/(1.0+t1)); |
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| 37 | temp *= cos(dd*qval*ii); |
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| 38 | //temp *= exp(-1.0*(t2 + t3)/(2.0*(1.0+t1)) ); |
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[1c6286d] | 39 | temp *= exp(-t2/2.0); |
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[dc02af0] | 40 | //temp /= sqrt(1.0+t1); |
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| 41 | |
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| 42 | Sq += temp; |
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| 43 | } |
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| 44 | |
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| 45 | Sq *= 2.0; |
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| 46 | Sq += 1.0; |
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| 47 | |
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| 48 | inten = 2.0*M_PI*Pq*Sq/(dd*qval*qval); |
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| 49 | |
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| 50 | inten *= 1.0e-04; // 1/A to 1/cm |
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| 51 | |
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| 52 | return(inten); |
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| 53 | } |
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| 54 | |
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