[35aface] | 1 | #if !defined(o_h) |
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| 2 | #define rpa_h |
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| 3 | |
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| 4 | /** |
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| 5 | * Structure definition for sphere parameters |
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| 6 | */ |
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| 7 | //[PYTHONCLASS] = RPAModel |
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| 8 | //[DISP_PARAMS] = background |
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| 9 | //[DESCRIPTION] =<text> THIS FORMALISM APPLIES TO MULTICOMPONENT POLYMER MIXTURES IN THE |
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| 10 | // HOMOGENEOUS (MIXED) PHASE REGION ONLY.; |
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| 11 | // CASE 0: C/D BINARY MIXTURE OF HOMOPOLYMERS |
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| 12 | // CASE 1: C-D DIBLOCK COPOLYMER |
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| 13 | // CASE 2: B/C/D TERNARY MIXTURE OF HOMOPOLYMERS |
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| 14 | // CASE 3: B/C-D MIXTURE OF HOMOPOLYMER B AND |
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| 15 | // DIBLOCK COPOLYMER C-D |
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| 16 | // CASE 4: B-C-D TRIBLOCK COPOLYMER |
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| 17 | // CASE 5: A/B/C/D QUATERNARY MIXTURE OF HOMOPOLYMERS |
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| 18 | // CASE 6: A/B/C-D MIXTURE OF TWO HOMOPOLYMERS A/B |
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| 19 | // AND A DIBLOCK C-D |
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| 20 | // CASE 7: A/B-C-D MIXTURE OF A HOMOPOLYMER A AND A |
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| 21 | // TRIBLOCK B-C-D |
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| 22 | // CASE 8: A-B/C-D MIXTURE OF TWO DIBLOCK COPOLYMERS |
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| 23 | // A-B AND C-D |
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| 24 | // CASE 9: A-B-C-D FOUR-BLOCK COPOLYMER |
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| 25 | // See details in the model function help |
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| 26 | // </text> |
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| 27 | //[FIXED]= <text></text> |
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| 28 | //[NON_FITTABLE_PARAMS]= <text> lcase_n; Na; Phia; va; La; Nb; Phib; vb; Lb;Nc; Phic; vc; Lc;Nd; Phid; vd; Ld; </text> |
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| 29 | //[ORIENTATION_PARAMS]= <text> </text> |
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| 30 | |
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| 31 | typedef struct { |
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| 32 | /// The Case number |
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| 33 | // [DEFAULT]=lcase_n=0 |
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| 34 | int lcase_n; |
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| 35 | |
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| 36 | /// Segment Length ba |
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| 37 | // [DEFAULT]=ba= 5.0 |
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| 38 | double ba; |
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| 39 | /// Segment Length bb |
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| 40 | // [DEFAULT]=bb=5.0 |
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| 41 | double bb; |
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| 42 | /// Segment Length bc |
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| 43 | // [DEFAULT]=bc= 5.0 |
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| 44 | double bc; |
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| 45 | /// Segment Length bd |
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| 46 | // [DEFAULT]=bd= 5.0 |
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| 47 | double bd; |
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| 48 | |
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| 49 | /// Chi Param ab |
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| 50 | // [DEFAULT]=Kab=-0.0004 |
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| 51 | double Kab; |
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| 52 | /// Chi Param ac |
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| 53 | // [DEFAULT]=Kac=-0.0004 |
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| 54 | double Kac; |
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| 55 | /// Chi Param ad |
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| 56 | // [DEFAULT]=Kad=-0.0004 |
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| 57 | double Kad; |
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| 58 | /// Chi Param bc |
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| 59 | // [DEFAULT]=Kbc=-0.0004 |
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| 60 | double Kbc; |
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| 61 | /// Chi Param bd |
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| 62 | // [DEFAULT]=Kbd=-0.0004 |
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| 63 | double Kbd; |
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| 64 | /// Chi Param cd |
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| 65 | // [DEFAULT]=Kcd=-0.0004 |
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| 66 | double Kcd; |
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| 67 | |
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| 68 | /// Scale factor |
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| 69 | // [DEFAULT]=scale= 1.0 |
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| 70 | double scale; |
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| 71 | /// Incoherent Background [1/cm] |
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| 72 | // [DEFAULT]=background=0 [1/cm] |
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| 73 | double background; |
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| 74 | |
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| 75 | /// Degree OF POLYMERIZATION of a |
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| 76 | // [DEFAULT]=Na=1000.0 |
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| 77 | double Na; |
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| 78 | /// Volume Fraction of a |
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| 79 | // [DEFAULT]=Phia=0.25 |
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| 80 | double Phia; |
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| 81 | /// Specific Volume of a |
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| 82 | // [DEFAULT]=va=100.0 |
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| 83 | double va; |
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| 84 | /// Scattering Length of a |
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| 85 | // [DEFAULT]=La=1.0e-012 |
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| 86 | double La; |
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| 87 | |
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| 88 | /// Degree OF POLYMERIZATION of b |
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| 89 | // [DEFAULT]=Nb=1000.0 |
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| 90 | double Nb; |
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| 91 | /// Volume Fraction of b |
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| 92 | // [DEFAULT]=Phib=0.25 |
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| 93 | double Phib; |
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| 94 | /// Specific Volume of b |
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| 95 | // [DEFAULT]=vb=100.0 |
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| 96 | double vb; |
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| 97 | /// Scattering Length of b |
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| 98 | // [DEFAULT]=Lb=1.0e-012 |
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| 99 | double Lb; |
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| 100 | |
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| 101 | /// Degree OF POLYMERIZATION of c |
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| 102 | // [DEFAULT]=Nc=1000.0 |
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| 103 | double Nc; |
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| 104 | /// Volume Fraction of c |
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| 105 | // [DEFAULT]=Phic=0.25 |
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| 106 | double Phic; |
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| 107 | /// Specific Volume of c |
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| 108 | // [DEFAULT]=vc=100.0 |
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| 109 | double vc; |
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| 110 | /// Scattering Length of c |
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| 111 | // [DEFAULT]=Lc=1.0e-012 |
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| 112 | double Lc; |
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| 113 | |
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| 114 | /// Degree OF POLYMERIZATION of d |
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| 115 | // [DEFAULT]=Nd=1000.0 |
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| 116 | double Nd; |
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| 117 | /// Volume Fraction of d |
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| 118 | // [DEFAULT]=Phid=0.25 |
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| 119 | double Phid; |
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| 120 | /// Specific Volume of d |
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| 121 | // [DEFAULT]=vd=100.0 |
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| 122 | double vd; |
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| 123 | /// Scattering Length of d |
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| 124 | // [DEFAULT]=Ld=0.0e-012 |
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| 125 | double Ld; |
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| 126 | |
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| 127 | } RPAParameters; |
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| 128 | |
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| 129 | double rpa_kernel(double dq[], double q); |
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| 130 | |
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| 131 | /// 1D scattering function |
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| 132 | double rpa_analytical_1D(RPAParameters *pars, double q); |
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| 133 | |
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| 134 | /// 2D scattering function |
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| 135 | double rpa_analytical_2D(RPAParameters *pars, double q, double phi); |
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| 136 | double rpa_analytical_2DXY(RPAParameters *pars, double qx, double qy); |
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| 137 | |
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| 138 | #endif |
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