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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_addref.F1 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)
H A Dargos_space_setup.F1 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,
H A Dargos_space_travel.F1 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,
H A Dargos_space_getixv.F1 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,
H A Dargos_space_wrtmro.F2 + 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,
H A Dargos_space_rdmri.F3 + 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,
H A Dargos_space_update.F2 + 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,
H A Dargos_space_rdtrj.F2 + 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,
H A Dargos_space_wrttrj.F2 + 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,
H A Dargos_space_wrtrst.F2 + 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,
H A Dargos_space_gaputixv.F1 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)
H A Dargos_space_gagetixv.F1 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)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_addref.F1 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)
H A Dargos_space_setup.F1 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,
H A Dargos_space_travel.F1 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,
H A Dargos_space_getixv.F1 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,
H A Dargos_space_wrtmro.F2 + 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,
H A Dargos_space_rdmri.F3 + 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,
H A Dargos_space_update.F2 + 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,
H A Dargos_space_rdtrj.F2 + 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,
H A Dargos_space_wrtrst.F2 + 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,
H A Dargos_space_wrttrj.F2 + 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,
H A Dargos_space_gaputixv.F1 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)
H A Dargos_space_gagetixv.F1 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)
H A Dargos_space_wtrst.F3 + 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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