1 | double form_volume(double thick_core, |
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2 | double thick_layer, |
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3 | double radius, |
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4 | double n_stacking); |
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5 | |
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6 | double Iq(double q, |
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7 | double thick_core, |
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8 | double thick_layer, |
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9 | double radius, |
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10 | double n_stacking, |
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11 | double sigma_dnn, |
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12 | double core_sld, |
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13 | double layer_sld, |
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14 | double solvent_sld); |
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15 | |
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16 | double Iqxy(double qx, double qy, |
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17 | double thick_core, |
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18 | double thick_layer, |
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19 | double radius, |
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20 | double n_stacking, |
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21 | double sigma_dnn, |
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22 | double core_sld, |
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23 | double layer_sld, |
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24 | double solvent_sld, |
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25 | double theta, |
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26 | double phi); |
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27 | |
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28 | static |
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29 | double _kernel(double qq, |
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30 | double radius, |
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31 | double core_sld, |
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32 | double layer_sld, |
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33 | double solvent_sld, |
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34 | double halfheight, |
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35 | double thick_layer, |
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36 | double sin_alpha, |
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37 | double cos_alpha, |
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38 | double sigma_dnn, |
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39 | double d, |
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40 | double n_stacking) |
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41 | |
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42 | { |
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43 | // qq is the q-value for the calculation (1/A) |
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44 | // radius is the core radius of the cylinder (A) |
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45 | // *_sld are the respective SLD's |
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46 | // halfheight is the *Half* CORE-LENGTH of the cylinder = L (A) |
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47 | // zi is the dummy variable for the integration (x in Feigin's notation) |
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48 | |
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49 | const double besarg1 = qq*radius*sin_alpha; |
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50 | //const double besarg2 = qq*radius*sin_alpha; |
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51 | |
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52 | const double sinarg1 = qq*halfheight*cos_alpha; |
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53 | const double sinarg2 = qq*(halfheight+thick_layer)*cos_alpha; |
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54 | |
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55 | const double be1 = sas_J1c(besarg1); |
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56 | //const double be2 = sas_J1c(besarg2); |
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57 | const double be2 = be1; |
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58 | const double si1 = sinc(sinarg1); |
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59 | const double si2 = sinc(sinarg2); |
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60 | |
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61 | const double dr1 = (core_sld-solvent_sld); |
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62 | const double dr2 = (layer_sld-solvent_sld); |
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63 | const double area = M_PI*radius*radius; |
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64 | const double totald = 2.0*(thick_layer+halfheight); |
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65 | |
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66 | const double t1 = area*(2.0*halfheight)*dr1*(si1)*(be1); |
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67 | const double t2 = area*dr2*(totald*si2-2.0*halfheight*si1)*(be2); |
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68 | |
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69 | |
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70 | double retval =((t1+t2)*(t1+t2)); |
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71 | |
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72 | // loop for the structure facture S(q) |
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73 | double sqq=0.0; |
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74 | for(int kk=1;kk<n_stacking;kk+=1) { |
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75 | double qd_cos_alpha = qq*d*cos_alpha; |
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76 | double dexpt=square(qd_cos_alpha*sigma_dnn)*kk/2.0; |
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77 | sqq += (n_stacking-kk)*cos(qd_cos_alpha*kk)*exp(-1.*dexpt); |
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78 | } |
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79 | // end of loop for S(q) |
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80 | sqq=1.0+2.0*sqq/n_stacking; |
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81 | |
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82 | return retval * sqq; |
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83 | } |
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84 | |
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85 | |
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86 | static |
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87 | double stacked_disks_kernel(double q, |
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88 | double thick_core, |
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89 | double thick_layer, |
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90 | double radius, |
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91 | double n_stacking, |
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92 | double sigma_dnn, |
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93 | double core_sld, |
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94 | double layer_sld, |
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95 | double solvent_sld) |
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96 | { |
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97 | /* StackedDiscsX : calculates the form factor of a stacked "tactoid" of core shell disks |
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98 | like clay platelets that are not exfoliated |
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99 | */ |
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100 | double summ = 0.0; //initialize integral |
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101 | |
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102 | double d = 2.0*thick_layer+thick_core; |
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103 | double halfheight = 0.5*thick_core; |
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104 | |
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105 | for(int i=0; i<N_POINTS_76; i++) { |
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106 | double zi = (Gauss76Z[i] + 1.0)*M_PI_4; |
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107 | double sin_alpha, cos_alpha; // slots to hold sincos function output |
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108 | SINCOS(zi, sin_alpha, cos_alpha); |
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109 | double yyy = _kernel(q, |
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110 | radius, |
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111 | core_sld, |
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112 | layer_sld, |
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113 | solvent_sld, |
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114 | halfheight, |
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115 | thick_layer, |
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116 | sin_alpha, |
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117 | cos_alpha, |
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118 | sigma_dnn, |
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119 | d, |
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120 | n_stacking); |
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121 | summ += Gauss76Wt[i] * yyy * sin_alpha; |
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122 | } |
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123 | |
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124 | double answer = M_PI_4*summ; |
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125 | |
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126 | //Convert to [cm-1] |
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127 | answer *= 1.0e-4; |
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128 | |
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129 | return answer; |
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130 | } |
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131 | |
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132 | double form_volume(double thick_core, |
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133 | double thick_layer, |
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134 | double radius, |
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135 | double n_stacking){ |
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136 | double d = 2.0 * thick_layer + thick_core; |
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137 | return M_PI * radius * radius * d * n_stacking; |
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138 | } |
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139 | |
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140 | double Iq(double q, |
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141 | double thick_core, |
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142 | double thick_layer, |
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143 | double radius, |
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144 | double n_stacking, |
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145 | double sigma_dnn, |
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146 | double core_sld, |
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147 | double layer_sld, |
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148 | double solvent_sld) |
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149 | { |
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150 | return stacked_disks_kernel(q, |
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151 | thick_core, |
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152 | thick_layer, |
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153 | radius, |
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154 | n_stacking, |
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155 | sigma_dnn, |
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156 | core_sld, |
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157 | layer_sld, |
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158 | solvent_sld); |
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159 | } |
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160 | |
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161 | |
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162 | double |
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163 | Iqxy(double qx, double qy, |
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164 | double thick_core, |
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165 | double thick_layer, |
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166 | double radius, |
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167 | double n_stacking, |
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168 | double sigma_dnn, |
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169 | double core_sld, |
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170 | double layer_sld, |
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171 | double solvent_sld, |
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172 | double theta, |
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173 | double phi) |
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174 | { |
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175 | double q, sin_alpha, cos_alpha; |
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176 | ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); |
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177 | |
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178 | double d = 2.0 * thick_layer + thick_core; |
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179 | double halfheight = 0.5*thick_core; |
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180 | double answer = _kernel(q, |
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181 | radius, |
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182 | core_sld, |
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183 | layer_sld, |
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184 | solvent_sld, |
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185 | halfheight, |
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186 | thick_layer, |
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187 | sin_alpha, |
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188 | cos_alpha, |
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189 | sigma_dnn, |
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190 | d, |
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191 | n_stacking); |
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192 | |
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193 | //convert to [cm-1] |
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194 | answer *= 1.0e-4; |
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195 | |
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196 | return answer; |
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197 | } |
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198 | |
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