Searched refs:r2jk (Results 1 – 9 of 9) sorted by relevance
232 r2jk=r2abc(linjk)238 mijk=-r2ij+r2jk+r2ik239 imjk= r2ij-r2jk+r2ik240 ijmk= r2ij+r2jk-r2ik256 . +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2)257 . -5.0*(r2jk-r2ik)**2*(r2jk+r2ik))265 r=dsqrt(r2jk)267 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij)280 . +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2)281 . -5.0*(r2jk-r2ij)**2*(r2jk+r2ij))[all …]
453 r2jk = sum(rjk**2)454 if (r2jk > cutoff2 .or. r2jk < 1.0e-14_wp) cycle769 r2jk = sum(rjk**2)811 real(wp), intent(in) :: r2ij, r2jk, r2ik local823 rrr2 = r2ij*r2jk*r2ik827 ang = 0.375_wp * (r2ij+r2jk-r2ik)*(r2ij-r2jk+r2ik)*(-r2ij+r2jk+r2ik) &839 & +r2ij*(3.0_wp*r2jk**2+2.0_wp*r2jk*r2ik+3.0_wp*r2ik**2) &840 & -5.0_wp*(r2jk-r2ik)**2*(r2jk+r2ik)) / (rrr3*rrr2)848 & +r2ik*(3.0_wp*r2jk**2+2.0*r2jk*r2ij+3.0_wp*r2ij**2) &849 & -5.0_wp*(r2jk-r2ij)**2*(r2jk+r2ij)) / (rrr3*rrr2)[all …]
1572 r2jk = sum(rjk**2)2065 r2jk = sum(rjk**2)2066 if (r2jk > cutoff2 .or. r2jk < 1.0e-14_wp) cycle2167 if (r2jk > cutoff2 .or. r2jk < 1.0e-14_wp) cycle2289 rrr2 = r2ij*r2jk*r2ik2293 ang = 0.375_wp * (r2ij+r2jk-r2ik)*(r2ij-r2jk+r2ik)*(-r2ij+r2jk+r2ik) &2305 & +r2ij*(3.0_wp*r2jk**2+2.0_wp*r2jk*r2ik+3.0_wp*r2ik**2) &2306 & -5.0_wp*(r2jk-r2ik)**2*(r2jk+r2ik)) / (rrr3*rrr2)2314 & +r2ik*(3.0_wp*r2jk**2+2.0*r2jk*r2ij+3.0_wp*r2ij**2) &2315 & -5.0_wp*(r2jk-r2ij)**2*(r2jk+r2ij)) / (rrr3*rrr2)[all …]
2474 r2jk=r2abc(linjk)2480 mijk=-r2ij+r2jk+r2ik2481 imjk= r2ij-r2jk+r2ik2482 ijmk= r2ij+r2jk-r2ik2483 rijk3=r2ij*r2jk*r2ik2498 . +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2)2499 . -5.0*(r2jk-r2ik)**2*(r2jk+r2ik))2507 r=dsqrt(r2jk)2509 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij)2522 . +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2)[all …]
2463 r2jk=r2abc(linjk)2469 mijk=-r2ij+r2jk+r2ik2470 imjk= r2ij-r2jk+r2ik2471 ijmk= r2ij+r2jk-r2ik2472 rijk3=r2ij*r2jk*r2ik2487 . +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2)2488 . -5.0*(r2jk-r2ik)**2*(r2jk+r2ik))2496 r=dsqrt(r2jk)2498 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij)2511 . +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2)[all …]
1272 r2jk=r2abc(linjk)1278 mijk=-r2ij+r2jk+r2ik1279 imjk= r2ij-r2jk+r2ik1280 ijmk= r2ij+r2jk-r2ik1281 rijk3=r2ij*r2jk*r2ik1296 & +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2) &1297 & -5.0*(r2jk-r2ik)**2*(r2jk+r2ik)) &1305 r=dsqrt(r2jk)1307 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij) &1320 & +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2) &[all …]
1253 r2jk=r2abc(linjk)1259 mijk=-r2ij+r2jk+r2ik1260 imjk= r2ij-r2jk+r2ik1261 ijmk= r2ij+r2jk-r2ik1262 rijk3=r2ij*r2jk*r2ik1277 & +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2) &1278 & -5.0*(r2jk-r2ik)**2*(r2jk+r2ik)) &1285 r=dsqrt(r2jk)1287 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij) &1299 & +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2) &[all …]
1276 r2jk=r2abc(linjk)1282 mijk=-r2ij+r2jk+r2ik1283 imjk= r2ij-r2jk+r2ik1284 ijmk= r2ij+r2jk-r2ik1285 rijk3=r2ij*r2jk*r2ik1300 & +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2) &1301 & -5.0*(r2jk-r2ik)**2*(r2jk+r2ik)) &1309 r=dsqrt(r2jk)1311 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij) &1324 & +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2) &[all …]
3044 r2jk=sqrab(linjk)3046 mijk=-r2ij+r2jk+r2ik3047 imjk= r2ij-r2jk+r2ik3048 ijmk= r2ij+r2jk-r2ik3049 rijk3=r2ij*r2jk*r2ik3056 dang=-0.375d0*(r2ij**3+r2ij**2*(r2jk+r2ik) &3057 & +r2ij*(3.0d0*r2jk**2+2.0*r2jk*r2ik+3.0*r2ik**2) &3058 & -5.0*(r2jk-r2ik)**2*(r2jk+r2ik)) &3061 dang=-0.375d0*(r2jk**3+r2jk**2*(r2ik+r2ij) &3067 & +r2ik*(3.0d0*r2jk**2+2.0*r2jk*r2ij+3.0*r2ij**2) &[all …]