/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_addref.F | 1 subroutine argos_addref(ladd,xwm,xwcr,xsm,xscr,dsr) argument 8 real*8 xwm(mwm,3),xwcr(mwm,3),xsm(msm,3),xscr(msm,3),dsr(msm) 16 xwcr(i,1)=xwcr(i,1)+xwm(i,1) 17 xwcr(i,2)=xwcr(i,2)+xwm(i,2) 18 xwcr(i,3)=xwcr(i,3)+xwm(i,3) 19 dwr=dwr+xwcr(i,1)*xwcr(i,1)+xwcr(i,2)*xwcr(i,2)+ 20 + xwcr(i,3)*xwcr(i,3) 30 xwcr(i,1)=xwcr(i,1)-xwm(i,1) 31 xwcr(i,2)=xwcr(i,2)-xwm(i,2) 32 xwcr(i,3)=xwcr(i,3)-xwm(i,3)
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H A D | argos_space_setup.F | 1 subroutine argos_space_setup(node,iwl,xw,xwcr,vw,gw,numwm, argument 13 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 22 + xw,xwcr,vw,gw,numwm, 26 + xw,xwcr,vw,numwm,
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H A D | argos_space_travel.F | 1 subroutine argos_space_travel(bx,xw,vw,xwcr,gw,iwl,numwm, argument 10 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),xwcr(mwm,3) 36 call argos_space_trvl(xw,vw,xwcr,gw,iwl,int_mb(i_packw), 51 + xw,xwcr,vw,nwmloc,
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H A D | argos_space_getixv.F | 1 subroutine argos_space_getixv(node,iwl,xw,xwcr,vw,numwm, argument 11 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 15 + xw,xwcr,vw,numwm,
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H A D | argos_space_wrtmro.F | 2 + iwl,xw,vw,xwcr,isl,xs,vs,prjct) 13 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),xwcr(mwm,3) 20 + iwl,int_mb(i_packw),xw,vw,xwcr,isl,int_mb(i_pack),xs,vs,
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H A D | argos_space_rdmri.F | 3 + iwl,xw,vw,xwcr,isl,xs,vs) 17 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),xwcr(mwm,3) 22 + iwl,int_mb(i_packw),xw,vw,xwcr,isl,int_mb(i_pack),xs,vs,
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H A D | argos_space_update.F | 2 + iwl,xw,xwcr,vw,numwm,isl,xs,vs,numsa) 11 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 17 + xw,xwcr,vw,numwm,
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H A D | argos_space_rdtrj.F | 2 + stime,pres,temp,tempw,temps,iwl,xw,vw,fw,xwcr,isl,xs,vs,fs, 15 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) 42 + iwl,int_mb(i_packw),xw,vw,fw,xwcr,isl,int_mb(i_pack),xs,vs,fs, 62 call argos_space_gagetixv(me,iwl,int_mb(i_packw),xw,xwcr,vw,numwm,
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H A D | argos_space_wrttrj.F | 2 + stime,pres,temp,tempw,temps,iwl,xw,vw,fw,xwcr,isl,xs,vs,fs) 14 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) 37 + iwl,int_mb(i_packw),xw,vw,fw,xwcr,isl,int_mb(i_pack),xs,vs,fs,
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H A D | argos_space_wrtrst.F | 2 + pres,temp,tempw,temps,iwl,xw,vw,fw,xwcr,isl,xs,vs,fs,xscr,prjct, 16 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) 41 + iwl,int_mb(i_packw),xw,vw,fw,xwcr,isl,int_mb(i_pack),xs,vs,fs,
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H A D | argos_space_gaputixv.F | 1 subroutine argos_space_gaputixv(node,iwl,iwlp,xw,xwcr, argument 13 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 35 call ga_put(ga_w,il,ih,jl+6*mwa,jl+6*mwa+2,xwcr,mwm)
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H A D | argos_space_gagetixv.F | 1 subroutine argos_space_gagetixv(node,iwl,iwlp,xw,xwcr, argument 13 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 35 call ga_get(ga_w,il,ih,jl+6*mwa,jl+6*mwa+2,xwcr,mwm)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_addref.F | 1 subroutine argos_addref(ladd,xwm,xwcr,xsm,xscr,dsr) argument 8 real*8 xwm(mwm,3),xwcr(mwm,3),xsm(msm,3),xscr(msm,3),dsr(msm) 16 xwcr(i,1)=xwcr(i,1)+xwm(i,1) 17 xwcr(i,2)=xwcr(i,2)+xwm(i,2) 18 xwcr(i,3)=xwcr(i,3)+xwm(i,3) 19 dwr=dwr+xwcr(i,1)*xwcr(i,1)+xwcr(i,2)*xwcr(i,2)+ 20 + xwcr(i,3)*xwcr(i,3) 30 xwcr(i,1)=xwcr(i,1)-xwm(i,1) 31 xwcr(i,2)=xwcr(i,2)-xwm(i,2) 32 xwcr(i,3)=xwcr(i,3)-xwm(i,3)
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H A D | argos_space_setup.F | 1 subroutine argos_space_setup(node,iwl,xw,xwcr,vw,gw,numwm, argument 13 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 22 + xw,xwcr,vw,gw,numwm, 26 + xw,xwcr,vw,numwm,
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H A D | argos_space_travel.F | 1 subroutine argos_space_travel(bx,xw,vw,xwcr,gw,iwl,numwm, argument 10 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),xwcr(mwm,3) 36 call argos_space_trvl(xw,vw,xwcr,gw,iwl,int_mb(i_packw), 51 + xw,xwcr,vw,nwmloc,
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H A D | argos_space_getixv.F | 1 subroutine argos_space_getixv(node,iwl,xw,xwcr,vw,numwm, argument 11 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 15 + xw,xwcr,vw,numwm,
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H A D | argos_space_wrtmro.F | 2 + iwl,xw,vw,xwcr,isl,xs,vs,prjct) 13 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),xwcr(mwm,3) 20 + iwl,int_mb(i_packw),xw,vw,xwcr,isl,int_mb(i_pack),xs,vs,
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H A D | argos_space_rdmri.F | 3 + iwl,xw,vw,xwcr,isl,xs,vs) 17 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),xwcr(mwm,3) 22 + iwl,int_mb(i_packw),xw,vw,xwcr,isl,int_mb(i_pack),xs,vs,
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H A D | argos_space_update.F | 2 + iwl,xw,xwcr,vw,numwm,isl,xs,vs,numsa) argument 11 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) local 17 + xw,xwcr,vw,numwm,
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H A D | argos_space_rdtrj.F | 2 + stime,pres,temp,tempw,temps,iwl,xw,vw,fw,xwcr,isl,xs,vs,fs, 15 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) 42 + iwl,int_mb(i_packw),xw,vw,fw,xwcr,isl,int_mb(i_pack),xs,vs,fs, 62 call argos_space_gagetixv(me,iwl,int_mb(i_packw),xw,xwcr,vw,numwm,
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H A D | argos_space_wrtrst.F | 2 + pres,temp,tempw,temps,iwl,xw,vw,fw,xwcr,isl,xs,vs,fs,xscr,prjct, argument 16 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) local 41 + iwl,int_mb(i_packw),xw,vw,fw,xwcr,isl,int_mb(i_pack),xs,vs,fs,
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H A D | argos_space_wrttrj.F | 2 + stime,pres,temp,tempw,temps,iwl,xw,vw,fw,xwcr,isl,xs,vs,fs) argument 14 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) local 37 + iwl,int_mb(i_packw),xw,vw,fw,xwcr,isl,int_mb(i_pack),xs,vs,fs,
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H A D | argos_space_gaputixv.F | 1 subroutine argos_space_gaputixv(node,iwl,iwlp,xw,xwcr, argument 13 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 35 call ga_put(ga_w,il,ih,jl+6*mwa,jl+6*mwa+2,xwcr,mwm)
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H A D | argos_space_gagetixv.F | 1 subroutine argos_space_gagetixv(node,iwl,iwlp,xw,xwcr, argument 13 real*8 xw(mwm,3,mwa),xs(msa,3),xwcr(mwm,3) 35 call ga_get(ga_w,il,ih,jl+6*mwa,jl+6*mwa+2,xwcr,mwm)
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H A D | argos_space_wtrst.F | 3 + iwl,iwlp,xw,vw,fw,xwcr,isl,islp,xs,vs,fs,xscr, 18 real*8 xw(mwm,3,mwa),vw(mwm,3,mwa),fw(mwm,3,mwa),xwcr(mwm,3) 103 call ga_get(ga_w,ilw,ilw+nwmn-1,jlw+6*mwa,jlw+6*mwa+2,xwcr,mwm) 120 brw(j,1)=xwcr(i,1) 121 brw(j,2)=xwcr(i,2) 122 brw(j,3)=xwcr(i,3)
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