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Searched defs:xyzb (Results 1 – 8 of 8) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/ecp/
H A Dint_ecp.F1182 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1194 double precision xyza(3), xyzb(3) ! [input] a and b center coords. local
1234 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1247 double precision xyza(3), xyzb(3) ! [input] a and b center coords. local
1287 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1340 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1388 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1441 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1498 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
1551 & xyzb,expb,coefb,b_nprim,b_ngen,Lb,ictrb, argument
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/dports/science/frontistr/FrontISTR-c66bdc397de319ca59a0565b3f3b1a3b33f0c50c/fistr1/src/lib/
H A Dm_common_struct.f9078 real(kind=kreal) :: f, xyza(3), xyzb(3), xyzc(3) local
/dports/science/xtb/xtb-6.4.1/src/
H A Ddipole.f9038 real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg local
H A Dcube.f9063 real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 local
H A Desp.f258 real*8 xyza(3),xyzb(3),rab,est,gama,arg,cc local
/dports/science/clipper/clipper-2.1/clipper/contrib/
H A Dtest_contrib.cpp77 const clipper::Atom_list& xyzb = data.atom_list(); in operator ()() local
/dports/science/frontistr/FrontISTR-c66bdc397de319ca59a0565b3f3b1a3b33f0c50c/fistr1/src/common/
H A Dfstr_setup.f901690 real(kind=kreal) :: fdum, xyza(3), xyzb(3), xyzc(3), ff1(3), ff2(3), ff3(3) local
/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/
H A Draktest.F3005 double precision xyza(3),xyzb(3),xyzc(3),xyzall(3,3) local