111
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1 ! { dg-do compile }
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2 ! { dg-options "-O -fbounds-check -w" }
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3 MODULE kinds
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4 INTEGER, PARAMETER :: dp = SELECTED_REAL_KIND ( 14, 200 )
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5 INTEGER, DIMENSION(:), ALLOCATABLE :: nco,ncoset,nso,nsoset
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6 INTEGER, DIMENSION(:,:,:), ALLOCATABLE :: co,coset
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7 END MODULE kinds
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8 MODULE ai_moments
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9 USE kinds
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10 CONTAINS
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11 SUBROUTINE cossin(la_max,npgfa,zeta,rpgfa,la_min,&
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12 lb_max,npgfb,zetb,rpgfb,lb_min,&
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13 rac,rbc,kvec,cosab,sinab)
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14 REAL(KIND=dp), DIMENSION(ncoset(la_max),&
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15 ncoset(lb_max)) :: sc, ss
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16 DO ipgf=1,npgfa
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17 DO jpgf=1,npgfb
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18 IF (la_max > 0) THEN
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19 DO la=2,la_max
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20 DO ax=2,la
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21 DO ay=0,la-ax
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22 sc(coset(ax,ay,az),1) = rap(1)*sc(coset(ax-1,ay,az),1) +&
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23 f2 * kvec(1)*ss(coset(ax-1,ay,az),1)
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24 ss(coset(ax,ay,az),1) = rap(1)*ss(coset(ax-1,ay,az),1) +&
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25 f2 * kvec(1)*sc(coset(ax-1,ay,az),1)
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26 END DO
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27 END DO
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28 END DO
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29 IF (lb_max > 0) THEN
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30 DO lb=2,lb_max
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31 ss(1,coset(0,0,lb)) = rbp(3)*ss(1,coset(0,0,lb-1)) +&
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32 f2 * kvec(3)*sc(1,coset(0,0,lb-1))
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33 DO bx=2,lb
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34 DO by=0,lb-bx
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35 ss(1,coset(bx,by,bz)) = rbp(1)*ss(1,coset(bx-1,by,bz)) +&
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36 f2 * kvec(1)*sc(1,coset(bx-1,by,bz))
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37 END DO
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38 END DO
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39 END DO
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40 END IF
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41 END IF
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42 DO j=ncoset(lb_min-1)+1,ncoset(lb_max)
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43 END DO
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44 END DO
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45 END DO
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46 END SUBROUTINE cossin
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47 SUBROUTINE moment(la_max,npgfa,zeta,rpgfa,la_min,&
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48 lb_max,npgfb,zetb,rpgfb,&
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49 lc_max,rac,rbc,mab)
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50 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: zeta, rpgfa
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51 REAL(KIND=dp), DIMENSION(:), INTENT(IN) :: zetb, rpgfb
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52 REAL(KIND=dp), DIMENSION(:, :, :), &
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53 INTENT(INOUT) :: mab
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54 REAL(KIND=dp), DIMENSION(3) :: rab, rap, rbp, rpc
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55 REAL(KIND=dp), DIMENSION(ncoset(la_max),&
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56 ncoset(lb_max), ncoset(lc_max)) :: s
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57 DO ipgf=1,npgfa
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58 DO jpgf=1,npgfb
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59 IF (rpgfa(ipgf) + rpgfb(jpgf) < dab) THEN
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60 DO k=1, ncoset(lc_max)-1
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61 DO j=nb+1,nb+ncoset(lb_max)
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62 DO i=na+1,na+ncoset(la_max)
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63 mab(i,j,k) = 0.0_dp
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64 END DO
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65 END DO
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66 END DO
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67 END IF
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68 rpc = zetp*(zeta(ipgf)*rac+zetb(jpgf)*rbc)
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69 DO l=2, ncoset(lc_max)
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70 lx = indco(1,l)
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71 l2 = 0
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72 IF ( lz > 0 ) THEN
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73 IF ( lz > 1 ) l2 = coset(lx,ly,lz-2)
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74 ELSE IF ( ly > 0 ) THEN
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75 IF ( ly > 1 ) l2 = coset(lx,ly-2,lz)
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76 IF ( lx > 1 ) l2 = coset(lx-2,ly,lz)
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77 END IF
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78 s(1,1,l) = rpc(i)*s(1,1,l1)
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79 IF ( l2 > 0 ) s(1,1,l) = s(1,1,l) + f2*REAL(ni,dp)*s(1,1,l2)
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80 END DO
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81 DO l = 1, ncoset(lc_max)
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82 IF ( lx > 0 ) THEN
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83 lx1 = coset(lx-1,ly,lz)
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84 END IF
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85 IF ( ly > 0 ) THEN
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86 ly1 = coset(lx,ly-1,lz)
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87 END IF
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88 IF (la_max > 0) THEN
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89 DO la=2,la_max
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90 IF ( lz1 > 0 ) s(coset(0,0,la),1,l) = s(coset(0,0,la),1,l) + &
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91 f2z*s(coset(0,0,la-1),1,lz1)
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92 IF ( ly1 > 0 ) s(coset(0,1,az),1,l) = s(coset(0,1,az),1,l) + &
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93 f2y*s(coset(0,0,az),1,ly1)
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94 DO ay=2,la
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95 s(coset(0,ay,az),1,l) = rap(2)*s(coset(0,ay-1,az),1,l) +&
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96 f2*REAL(ay-1,dp)*s(coset(0,ay-2,az),1,l)
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97 IF ( ly1 > 0 ) s(coset(0,ay,az),1,l) = s(coset(0,ay,az),1,l) + &
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98 f2y*s(coset(0,ay-1,az),1,ly1)
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99 END DO
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100 DO ay=0,la-1
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101 IF ( lx1 > 0 ) s(coset(1,ay,az),1,l) = s(coset(1,ay,az),1,l) + &
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102 f2x*s(coset(0,ay,az),1,lx1)
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103 END DO
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104 DO ax=2,la
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105 DO ay=0,la-ax
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106 s(coset(ax,ay,az),1,l) = rap(1)*s(coset(ax-1,ay,az),1,l) +&
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107 f3*s(coset(ax-2,ay,az),1,l)
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108 IF ( lx1 > 0 ) s(coset(ax,ay,az),1,l) = s(coset(ax,ay,az),1,l) + &
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109 f2x*s(coset(ax-1,ay,az),1,lx1)
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110 END DO
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111 END DO
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112 END DO
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113 IF (lb_max > 0) THEN
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114 DO j=2,ncoset(lb_max)
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115 DO i=1,ncoset(la_max)
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116 s(i,j,l) = 0.0_dp
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117 END DO
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118 END DO
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119 DO la=la_start,la_max-1
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120 DO ax=0,la
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121 DO ay=0,la-ax
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122 s(coset(ax,ay,az),2,l) = s(coset(ax+1,ay,az),1,l) -&
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123 rab(1)*s(coset(ax,ay,az),1,l)
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124 s(coset(ax,ay,az),4,l) = s(coset(ax,ay,az+1),1,l) -&
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125 rab(3)*s(coset(ax,ay,az),1,l)
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126 END DO
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127 END DO
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128 END DO
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129 DO ax=0,la_max
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130 DO ay=0,la_max-ax
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131 IF (ax == 0) THEN
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132 s(coset(ax,ay,az),2,l) = rbp(1)*s(coset(ax,ay,az),1,l)
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133 ELSE
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134 s(coset(ax,ay,az),2,l) = rbp(1)*s(coset(ax,ay,az),1,l) +&
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135 fx*s(coset(ax-1,ay,az),1,l)
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136 END IF
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137 IF (lx1 > 0) s(coset(ax,ay,az),2,l) = s(coset(ax,ay,az),2,l) +&
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138 f2x*s(coset(ax,ay,az),1,lx1)
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139 IF (ay == 0) THEN
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140 s(coset(ax,ay,az),3,l) = rbp(2)*s(coset(ax,ay,az),1,l)
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141 ELSE
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142 s(coset(ax,ay,az),3,l) = rbp(2)*s(coset(ax,ay,az),1,l) +&
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143 fy*s(coset(ax,ay-1,az),1,l)
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144 END IF
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145 IF (ly1 > 0) s(coset(ax,ay,az),3,l) = s(coset(ax,ay,az),3,l) +&
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146 f2y*s(coset(ax,ay,az),1,ly1)
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147 IF (az == 0) THEN
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148 s(coset(ax,ay,az),4,l) = rbp(3)*s(coset(ax,ay,az),1,l)
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149 ELSE
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150 s(coset(ax,ay,az),4,l) = rbp(3)*s(coset(ax,ay,az),1,l) +&
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151 fz*s(coset(ax,ay,az-1),1,l)
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152 END IF
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153 IF (lz1 > 0) s(coset(ax,ay,az),4,l) = s(coset(ax,ay,az),4,l) +&
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154 f2z*s(coset(ax,ay,az),1,lz1)
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155 END DO
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156 END DO
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157 DO lb=2,lb_max
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158 DO la=la_start,la_max-1
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159 DO ax=0,la
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160 DO ay=0,la-ax
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161 s(coset(ax,ay,az),coset(0,0,lb),l) =&
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162 rab(3)*s(coset(ax,ay,az),coset(0,0,lb-1),l)
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163 DO bx=1,lb
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164 DO by=0,lb-bx
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165 s(coset(ax,ay,az),coset(bx,by,bz),l) =&
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166 rab(1)*s(coset(ax,ay,az),coset(bx-1,by,bz),l)
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167 END DO
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168 END DO
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169 END DO
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170 END DO
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171 END DO
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172 DO ax=0,la_max
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173 DO ay=0,la_max-ax
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174 IF (az == 0) THEN
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175 s(coset(ax,ay,az),coset(0,0,lb),l) =&
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176 rbp(3)*s(coset(ax,ay,az),coset(0,0,lb-1),l) +&
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177 f3*s(coset(ax,ay,az),coset(0,0,lb-2),l)
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178 END IF
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179 IF (lz1 > 0) s(coset(ax,ay,az),coset(0,0,lb),l) =&
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180 f2z*s(coset(ax,ay,az),coset(0,0,lb-1),lz1)
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181 IF (ay == 0) THEN
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182 IF (ly1 > 0) s(coset(ax,ay,az),coset(0,1,bz),l) =&
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183 f2y*s(coset(ax,ay,az),coset(0,0,bz),ly1)
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184 DO by=2,lb
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185 s(coset(ax,ay,az),coset(0,by,bz),l) =&
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186 f3*s(coset(ax,ay,az),coset(0,by-2,bz),l)
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187 IF (ly1 > 0) s(coset(ax,ay,az),coset(0,by,bz),l) =&
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188 f2y*s(coset(ax,ay,az),coset(0,by-1,bz),ly1)
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189 END DO
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190 s(coset(ax,ay,az),coset(0,1,bz),l) =&
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191 fy*s(coset(ax,ay-1,az),coset(0,0,bz),l)
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192 END IF
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193 IF (ax == 0) THEN
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194 DO by=0,lb-1
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195 IF (lx1 > 0) s(coset(ax,ay,az),coset(1,by,bz),l) =&
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196 f2x*s(coset(ax,ay,az),coset(0,by,bz),lx1)
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197 END DO
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198 DO bx=2,lb
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199 DO by=0,lb-bx
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200 s(coset(ax,ay,az),coset(bx,by,bz),l) =&
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201 f3*s(coset(ax,ay,az),coset(bx-2,by,bz),l)
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202 IF (lx1 > 0) s(coset(ax,ay,az),coset(bx,by,bz),l) =&
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203 f2x*s(coset(ax,ay,az),coset(bx-1,by,bz),lx1)
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204 END DO
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205 END DO
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206 DO by=0,lb-1
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207 IF (lx1 > 0) s(coset(ax,ay,az),coset(1,by,bz),l) =&
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208 f2x*s(coset(ax,ay,az),coset(0,by,bz),lx1)
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209 END DO
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210 DO bx=2,lb
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211 DO by=0,lb-bx
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212 s(coset(ax,ay,az),coset(bx,by,bz),l) =&
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213 f3*s(coset(ax,ay,az),coset(bx-2,by,bz),l)
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214 IF (lx1 > 0) s(coset(ax,ay,az),coset(bx,by,bz),l) =&
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215 f2x*s(coset(ax,ay,az),coset(bx-1,by,bz),lx1)
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216 END DO
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217 END DO
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218 END IF
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219 END DO
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220 END DO
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221 END DO
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222 END IF
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223 IF (lb_max > 0) THEN
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224 DO lb=2,lb_max
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225 IF (lz1 > 0) s(1,coset(0,0,lb),l) = s(1,coset(0,0,lb),l) +&
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226 f2z*s(1,coset(0,0,lb-1),lz1)
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227 IF (ly1 > 0) s(1,coset(0,1,bz),l) = s(1,coset(0,1,bz),l) +&
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228 f2y*s(1,coset(0,0,bz),ly1)
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229 DO by=2,lb
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230 s(1,coset(0,by,bz),l) = rbp(2)*s(1,coset(0,by-1,bz),l) +&
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231 f2*REAL(by-1,dp)*s(1,coset(0,by-2,bz),l)
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232 IF (lx1 > 0) s(1,coset(1,by,bz),l) = s(1,coset(1,by,bz),l) +&
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233 f2x*s(1,coset(0,by,bz),lx1)
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234 END DO
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235 DO bx=2,lb
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236 DO by=0,lb-bx
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237 IF (lx1 > 0) s(1,coset(bx,by,bz),l) = s(1,coset(bx,by,bz),l) +&
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238 f2x*s(1,coset(bx-1,by,bz),lx1)
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239 END DO
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240 END DO
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241 END DO
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242 END IF
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243 END IF
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244 END DO
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245 DO k=2,ncoset(lc_max)
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246 DO j=1,ncoset(lb_max)
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247 END DO
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248 END DO
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249 END DO
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250 END DO
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251 END SUBROUTINE moment
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252 SUBROUTINE diff_momop(la_max,npgfa,zeta,rpgfa,la_min,&
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253 order,rac,rbc,difmab,mab_ext)
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254 REAL(KIND=dp), DIMENSION(:, :, :), &
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255 OPTIONAL, POINTER :: mab_ext
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256 REAL(KIND=dp), ALLOCATABLE, &
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257 DIMENSION(:, :, :) :: difmab_tmp
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258 DO imom = 1,ncoset(order)-1
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259 CALL adbdr(la_max,npgfa,rpgfa,la_min,&
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260 difmab_tmp(:,:,2), difmab_tmp(:,:,3))
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261 END DO
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262 END SUBROUTINE diff_momop
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263 END MODULE ai_moments
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