/dports/biology/molden/molden5.8/ |
H A D | progeo.f | 7 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 18 & formax,forrms,dismax,disrms,epoints,isav, argument 48 call geogam(formax,forrms,dismax,disrms,epoints,isav) 50 call geogus(formax,forrms,dismax,disrms,epoints,isav) 52 call geogau(formax,forrms,dismax,disrms,epoints,isav) 67 call geocpmd(formax,forrms,dismax,disrms,epoints,isav, 71 call geoqcm(formax,forrms,dismax,disrms,epoints,isav) 73 call geoorc(formax,forrms,dismax,disrms,epoints,isav) 109 call geoxdt(formax,forrms,dismax,disrms,epoints,isav) 111 call geobio(formax,forrms,dismax,disrms,epoints,isav) [all …]
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H A D | gmmcnv.f | 1 subroutine gmmcnv(formax,forrms,dismax,disrms,epoints,isav) argument 6 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 20 if (forrms(i).lt.fgmin) fgmin = forrms(i) 21 if (forrms(i).gt.fgmax) fgmax = forrms(i)
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H A D | geogam.f | 1 subroutine geogam(formax,forrms,dismax,disrms,epoints,isav) argument 9 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 129 forrms(ngeoms) = 0.0d0 157 forrms(ngeoms) = tmp2
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H A D | geomop.f | 1 subroutine geomop(formax,forrms,dismax,disrms,epoints,isav, argument 9 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 64 & formax,forrms,dismax,disrms,epoints,isav,coo,ianz,istat) argument 78 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*)
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H A D | geogau.f | 1 subroutine geogau(formax,forrms,dismax,disrms,epoints,isav) argument 14 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 239 forrms(nepnts) = tmp2
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H A D | rdnwch.f | 518 subroutine egeonw(formax,forrms,dismax,disrms,epoints,isav) argument 527 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 568 forrms(ngeoms) = rtype 593 subroutine geonwc(formax,forrms,dismax,disrms,epoints,isav) argument 602 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 656 forrms(ngeoms) = rtype
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H A D | rdmolf.f | 5 & formax,forrms,dismax,disrms,epoints,isav) argument 52 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 654 forrms(ngeoms) = rtype 721 & formax,forrms,dismax,disrms,epoints,isav,ianz) argument 774 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 888 & call prtarr(iun3,'rms-force',forrms,ngeoms,isav)
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H A D | rdorca.f | 445 subroutine geoorc(formax,forrms,dismax,disrms,epoints,isav) argument 453 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 500 forrms(ngeoms) = rtype
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H A D | rdcpmd.f | 302 subroutine geocpmd(formax,forrms,dismax,disrms,epoints,isav, argument 310 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 347 forrms(i) = reada(lstr,i1+7,len(lstr))
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H A D | rdgamu.f | 729 subroutine geogus(formax,forrms,dismax,disrms,epoints,isav) argument 736 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 769 forrms(i) = reada(lstr,i1+14,len(lstr))
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H A D | rdqchm.f | 455 subroutine geoqcm(formax,forrms,dismax,disrms,epoints,isav) argument 463 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*)
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H A D | rdmaux.f | 5 & formax,forrms,dismax,disrms,epoints,isav,q) argument 39 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*)
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H A D | dummys.f | 370 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 899 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 908 & formax,forrms,dismax,disrms,epoints,isav,qat) 924 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 930 & formax,forrms,dismax,disrms,epoints,isav) 948 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 957 & formax,forrms,dismax,disrms,epoints,isav,ianz) 1452 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 1478 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 1490 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local [all …]
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H A D | rdchx.f | 439 subroutine geobio(formax,forrms,dismax,disrms,epoints,isav) argument 449 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 509 subroutine geofdt(formax,forrms,dismax,disrms,epoints,isav) argument 517 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 593 subroutine geoxdt(formax,forrms,dismax,disrms,epoints,isav) argument 602 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 694 subroutine geochx(formax,forrms,dismax,disrms,epoints,isav) argument 701 dimension formax(*),forrms(*),dismax(*),disrms(*),epoints(*) 4027 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local 4118 common /geocnv2/ formax(MAXPNT),forrms(MAXPNT),dismax(MAXPNT), local
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H A D | xwin.c | 2067 double forrms[MAXPNT]; member 2077 double *forrms; member 9529 geop->formax,geop->forrms,geop->dismax,geop->disrms, 9562 geop->formax,geop->forrms,geop->dismax,geop->disrms, 9593 geop->formax,geop->forrms,geop->dismax,geop->disrms, 18365 geop->formax,geop->forrms,geop->dismax,geop->disrms, 35782 geopntr.forrms = geo2ptr->forrms; 36327 geop->forrms,0,0,nitems,geo1ptr->fgmax,geo1ptr->fgmin, in drwgeo() 46046 free(geopntr.forrms); in FreeAllFirst() 46153 free(geop->forrms); [all …]
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