new
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Electrostatic-Abstract,
README,
chelp.f-1,
chelp.f-2,
chelp.f-3,
chelp.f-4,
chelp.f-5,
chelp.inp,
chelp.out,
gr.f,
gr.inp,
gr.out,
input.notes,
protocol,
svd.f,
svd.inp,
svd.out
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Date: Fri, 12 May 1995 15:40:12 -0400
From: mfrancl (Francl Michelle M)
To: srusso
Subject: chelp.f
X-UIDL: 800307735.006
OV=(YX**ONEPT5)*EXX1 SPDSTV
OVEK=THREE*AA*BB*APBB SPDSTV
EK=F2*AA*BB*APBB*OV SPDSTV
EP=TWO*YX*EXX1 SPDSTV
DO 119 I=3,5 SPDSTV
A(I)=A(I-1)*A(2) SPDSTV
B(I)=B(I-1)*B(2) SPDSTV
APB(I)=APB(I-1)*APB(2) SPDSTV
119 F(I)=F(I-1)*F(2) SPDSTV
DPP(1)=CSA(IGAUSS)*CSB(JGAUSS) SPDSTV
DPP(2)=CPA(IGAUSS)*CSB(JGAUSS) SPDSTV
DPP(3)=CDA(IGAUSS)*CSB(JGAUSS) SPDSTV
DPP(4)=CSA(IGAUSS)*CPB(JGAUSS) SPDSTV
DPP(5)=CPA(IGAUSS)*CPB(JGAUSS) SPDSTV
DPP(6)=CDA(IGAUSS)*CPB(JGAUSS) SPDSTV
DPP(7)=CSA(IGAUSS)*CDB(JGAUSS) SPDSTV
DPP(8)=CPA(IGAUSS)*CDB(JGAUSS) SPDSTV
DPP(9)=CDA(IGAUSS)*CDB(JGAUSS) SPDSTV
DO 2132 I=1,9 SPDSTV
OF(I)=DPP(I)*OV SPDSTV
2132 OX(I)=DPP(I)*EK SPDSTV
DO 2139 I=1,100
2139 EEP(I)=ZERO
C002=T02*A1*F1 SPDSTV
C006=T02*B1*F1 SPDSTV
C007=T03*A1*B1*F2 SPDSTV
C008=T03*A1*B1*F1 SPDSTV
C027=T01*A1 SPDSTV
C031=T01*A1*B1*F1 SPDSTV
C032=T02*A1*B1 SPDSTV
C051=T02*A1*B1*F2 SPDSTV
C012=T02*B1 SPDSTV
C013=T03*B2*F2 SPDSTV
C014=T03*B2*F1 SPDSTV
C036=T01*B2*F1 SPDSTV
C037=T02*B2 SPDSTV
C056=T01*B1*F1 SPDSTV
C030=T01*B1 SPDSTV
C018=T04*A1*B2*F2 SPDSTV
IF(ITYPE-7)3060,3040,3041 SPDSTV
3041 CONTINUE SPDSTV
C003=T02*A1 SPDSTV
C004=T03*A2*F2 SPDSTV
C005=T03*A2*F1 SPDSTV
C009=T04*A2*B1*F3 SPDSTV
C010=T05*A2*B1*F2 SPDSTV
C011=T04*A2*B1*F2 SPDSTV
C017=T03*A1*B1 SPDSTV
C019=T04*A1*B2*F1 SPDSTV
C020=T04*A2*B1*F1 SPDSTV
C021=T06*A2*B2*F4 SPDSTV
C022=T05*A2*B2*F3 SPDSTV
C023=T07*A2*B2*F2 SPDSTV
C024=T07*A2*B2*F3 SPDSTV
C025=T06*A2*B2*F3 SPDSTV
C026=T06*A2*B2*F2 SPDSTV
C028=T01*A2*F1 SPDSTV
C029=T02*A2 SPDSTV
C033=T08*A2*B1*F2 SPDSTV
C034=T09*A2*B1*F1 SPDSTV
C035=T02*A2*B1*F1 SPDSTV
C040=T02*A1*B2*F1 SPDSTV
C041=T03*A1*B2 SPDSTV
C042=T03*A2*B1 SPDSTV
C043=T02*A2*B2*F3 SPDSTV
C044=T10*A2*B2*F2 SPDSTV
C045=T08*A2*B2*F1 SPDSTV
C046=T11*A2*B2*F2 SPDSTV
C047=T05*A2*B2*F2 SPDSTV
C048=T03*A2*B2*F1 SPDSTV
C049=T01*A1*F1 SPDSTV
C057=T12*A1*B1*F1 SPDSTV
C058=T03*A1 SPDSTV
C059=T03*B1 SPDSTV
C060=T03*A1*B2*F3 SPDSTV
C061=T04*B2*F2 SPDSTV
C062=T04*B2*F1 SPDSTV
C063=T03*A2*B1*F3 SPDSTV
C064=T01*A1*B1*F2 SPDSTV
C065=T09*B1*F1 SPDSTV
C066=T09*A1*F1 SPDSTV
C069=T04*A2*F2 SPDSTV
C070=T04*A2*F1 SPDSTV
C071=T03*A2*B1*F2 SPDSTV
C072=T08*A1*F1 SPDSTV
C073=T03*A1*B2*F2 SPDSTV
C075=T08*B1*F1 SPDSTV
C076=T04*A1*B1*F2 SPDSTV
3040 CONTINUE SPDSTV
C015=T04*A1*B2*F3 SPDSTV
C016=T05*A1*B2*F2 SPDSTV
C038=T08*A1*B2*F2 SPDSTV
C039=T09*A1*B2*F1 SPDSTV
C040=T02*A1*B2*F1 SPDSTV
C052=T02*A1*B1*F1 SPDSTV
C053=T03*B1*F1 SPDSTV
C055=T03*A1*F1 SPDSTV
3060 CONTINUE
CX=X1
CY=X2
CZ=X3
CPX(2)=PX-CX SPDSTV
CPY(2)=PY-CY SPDSTV
CPZ(2)=PZ-CZ SPDSTV
CP2=CPX(2)*CPX(2)+CPY(2)*CPY(2)+CPZ(2)*CPZ(2) SPDSTV
CALL FMGEN(AAPBB*CP2,M) SPDSTV
DO 108 I=3,5 SPDSTV
CPX(I)=CPX(I-1)*CPX(2) SPDSTV
CPY(I)=CPY(I-1)*CPY(2) SPDSTV
108 CPZ(I)=CPZ(I-1)*CPZ(2) SPDSTV
EPAN=EP*FLOAT(-ICHARG)
DO 2136 I=1,9 SPDSTV
2136 OF(I)=DPP(I)*EPAN SPDSTV
D002=CPZ1*FM1 SPDSTV
D003=CPZ2*FM2 SPDSTV
D004=APB1*FM1 SPDSTV
D005=CPX1*FM1 SPDSTV
D006=CPX1*CPZ1*FM2 SPDSTV
D007=CPX2*FM2 SPDSTV
D008=CPY1*FM1 SPDSTV
D009=CPY1*CPZ1*FM2 SPDSTV
D010=CPX1*CPY1*FM2 SPDSTV
D011=CPY2*FM2 SPDSTV
D012=CPZ3*FM3 SPDSTV
D013=APB1*CPZ1*FM2 SPDSTV
D014=CPX1*CPZ2*FM3 SPDSTV
D015=APB1*CPX1*FM2 SPDSTV
D016=CPX2*CPZ1*FM3 SPDSTV
D017=CPY1*CPZ2*FM3 SPDSTV
D018=APB1*CPY1*FM2 SPDSTV
D019=CPX1*CPY1*CPZ1*FM3 SPDSTV
D020=CPY2*CPZ1*FM3 SPDSTV
D034=CPX3*FM3 SPDSTV
D035=CPX2*CPY1*FM3 SPDSTV
D036=CPX1*CPY2*FM3 SPDSTV
D043=CPY3*FM3 SPDSTV
C ****************************************************************** SPDSTV
C * SS * SPDSTV
C ****************************************************************** SPDSTV
EP00=OF0*(+C001*AB001*D001) SPDSTV
IF(ITYPE)3230,3262,3230 SPDSTV
C ****************************************************************** SPDSTV
C * SP * SPDSTV
C ****************************************************************** SPDSTV
3230 CONTINUE SPDSTV
EP01=OF3*(-C006*AB002*D001-C001*AB001*D002) SPDSTV
EP03=OF3*(-C006*AB004*D001-C001*AB001*D005) SPDSTV
EP06=OF3*(-C006*AB007*D001-C001*AB001*D008) SPDSTV
IF(ITYPE-7)3240,3242,3241 SPDSTV
3240 IF(ITYPE-4)3262,3261,3260 SPDSTV
C ****************************************************************** SPDSTV
C * DD * SPDSTV
C ****************************************************************** SPDSTV
3241 CONTINUE SPDSTV
D021=CPZ4*FM4 SPDSTV
D022=APB1*CPZ2*FM3 SPDSTV
D023=APB2*FM2 SPDSTV
D024=CPX1*CPZ3*FM4 SPDSTV
D025=APB1*CPX1*CPZ1*FM3 SPDSTV
D026=CPX2*CPZ2*FM4 SPDSTV
D027=APB1*CPX2*FM3 SPDSTV
D028=CPY1*CPZ3*FM4 SPDSTV
D029=APB1*CPY1*CPZ1*FM3 SPDSTV
D030=CPX1*CPY1*CPZ2*FM4 SPDSTV
D031=APB1*CPX1*CPY1*FM3 SPDSTV
D032=CPY2*CPZ2*FM4 SPDSTV
D033=APB1*CPY2*FM3 SPDSTV
D037=CPX3*CPZ1*FM4 SPDSTV
D038=CPX2*CPY1*CPZ1*FM4 SPDSTV
D039=CPX1*CPY2*CPZ1*FM4 SPDSTV
D040=CPX4*FM4 SPDSTV
D041=CPX3*CPY1*FM4 SPDSTV
D042=CPX2*CPY2*FM4 SPDSTV
D044=CPY3*CPZ1*FM4 SPDSTV
D045=CPX1*CPY3*FM4 SPDSTV
D046=CPY4*FM4 SPDSTV
EP20=OF2*(+C003*AB001*D001+C004*AB003*D001-C005*AB001*D001-C049*AB SPDSTV $002*D002+C001*AB001*D003-C050*AB001*D004) SPDSTV
EP40=OF2*(+C004*AB005*D001-C002*AB004*D002-C002*AB002*D005+C001*AB SPDSTV $001*D006) SPDSTV
EP50=OF2*(+C003*AB001*D001+C004*AB006*D001-C005*AB001*D001-C049*AB SPDSTV $004*D005+C001*AB001*D007-C050*AB001*D004) SPDSTV
EP70=OF2*(+C004*AB008*D001-C002*AB007*D002-C002*AB002*D008+C001*AB SPDSTV $001*D009) SPDSTV
EP80=OF2*(+C004*AB009*D001-C002*AB004*D008-C002*AB007*D005+C001*AB SPDSTV $001*D010) SPDSTV
EP90=OF2*(+C003*AB001*D001+C004*AB010*D001-C005*AB001*D001-C049*AB SPDSTV $007*D008+C001*AB001*D011-C050*AB001*D004) SPDSTV
EP21=OF5*(-C008*AB002*D001-C003*AB001*D002-C009*AB011*D001+C010*AB SPDSTV $002*D001+C051*AB003*D002-C052*AB001*D002-C006*AB002*D003+C053*AB00 SPDSTV $2*D004-C004*AB003*D002+C005*AB001*D002+C049*AB002*D003-C002*AB002* SPDSTV $D004-C001*AB001*D012+C054*AB001*D013) SPDSTV
EP41=OF5*(-C009*AB012*D001+C011*AB004*D001+C007*AB005*D002+C007*AB SPDSTV $003*D005-C008*AB001*D005-C006*AB002*D006-C004*AB005*D002+C002*AB00 SPDSTV $4*D003-C055*AB004*D004+C002*AB002*D006-C001*AB001*D014+C050*AB001* SPDSTV $D015) SPDSTV
EP51=OF5*(-C008*AB002*D001-C003*AB001*D002-C009*AB013*D001+C011*AB SPDSTV $002*D001+C051*AB005*D005-C006*AB002*D007+C053*AB002*D004-C004*AB00 SPDSTV $6*D002+C005*AB001*D002+C049*AB004*D006-C001*AB001*D016+C050*AB001* SPDSTV $D013) SPDSTV
EP71=OF5*(-C009*AB014*D001+C011*AB007*D001+C007*AB008*D002+C007*AB SPDSTV $003*D008-C008*AB001*D008-C006*AB002*D009-C004*AB008*D002+C002*AB00 SPDSTV $7*D003-C055*AB007*D004+C002*AB002*D009-C001*AB001*D017+C050*AB001* SPDSTV $D018) SPDSTV
EP81=OF5*(-C009*AB015*D001+C007*AB005*D008+C007*AB008*D005-C006*AB SPDSTV $002*D010-C004*AB009*D002+C002*AB004*D009+C002*AB007*D006-C001*AB00 SPDSTV $1*D019) SPDSTV
EP91=OF5*(-C008*AB002*D001-C003*AB001*D002-C009*AB016*D001+C011*AB SPDSTV $002*D001+C051*AB008*D008-C006*AB002*D011+C053*AB002*D004-C004*AB01 SPDSTV $0*D002+C005*AB001*D002+C049*AB007*D009-C001*AB001*D020+C050*AB001* SPDSTV $D013) SPDSTV
EP22=OF8*(+C017*AB001*D001+C018*AB003*D001-C019*AB001*D001+C057*AB SPDSTV $002*D002+C003*AB001*D003-C058*AB001*D004+C011*AB003*D001-C020*AB00 SPDSTV $1*D001+C012*AB001*D003-C059*AB001*D004+C021*AB017*D001-C022*AB003* SPDSTV $D001-C060*AB011*D002+C023*AB001*D001+C038*AB002*D002+C013*AB003*D0 SPDSTV $03-C061*AB003*D004-C014*AB001*D003+C062*AB001*D004+C063*AB011*D002 SPDSTV $-C033*AB002*D002-C064*AB003*D003+C051*AB003*D004+C031*AB001*D003-C SPDSTV $052*AB001*D004+C056*AB002*D012-C065*AB002*D013+C004*AB003*D00
3-C00 SPDSTV $5*AB001*D003-C049*AB002*D012+C066*AB002*D013+C001*AB001*D021-C067* SPDSTV $AB001*D022+C068*AB001*D023-C069*AB003*D004+C070*AB001*D004) SPDSTV
EP42=OF8*(+C011*AB005*D001-C008*AB004*D002-C008*AB002*D005+C012*AB SPDSTV $001*D006+C021*AB018*D001-C024*AB005*D001-C015*AB012*D002-C015*AB01 SPDSTV $1*D005+C016*AB002*D005+C013*AB003*D006+C018*AB004*D002-C014*AB001* SPDSTV $D006+C063*AB012*D002-C071*AB004*D002-C051*AB005*D003+C007*AB005*D0 SPDSTV $04-C051*AB003*D006+C052*AB001*D006+C056*AB002*D014-C006*AB002*D015 SPDSTV $+C004*AB005*D003-C002*AB004*D012+C072*AB004*D013-C002*AB002*D014+C SPDSTV $001*AB001*D024-C054*AB001*D025-C069*AB005*D004+C055*AB002*D01
5) SPDSTV
EP52=OF8*(+C017*AB001*D001+C018*AB003*D001-C019*AB001*D001+C052*AB SPDSTV $002*D002+C003*AB001*D003-C058*AB001*D004+C011*AB006*D001-C020*AB00 SPDSTV $1*D001-C052*AB004*D005+C012*AB001*D007-C059*AB001*D004+C021*AB019* SPDSTV $D001-C025*AB003*D001-C060*AB012*D005+C013*AB003*D007-C061*AB003*D0 SPDSTV $04-C025*AB006*D001+C026*AB001*D001+C073*AB004*D005-C014*AB001*D007 SPDSTV $+C062*AB001*D004+C063*AB013*D002-C071*AB002*D002-C064*AB005*D006+C SPDSTV $056*AB002*D016-C006*AB002*D013+C004*AB006*D003-C005*AB001*D00
3-C04 SPDSTV $9*AB004*D014+C001*AB001*D026-C050*AB001*D022-C069*AB006*D004+C070* SPDSTV $AB001*D004+C002*AB004*D015-C050*AB001*D027+C074*AB001*D023) SPDSTV
EP72=OF8*(+C011*AB008*D001-C008*AB007*D002-C008*AB002*D008+C012*AB SPDSTV $001*D009+C021*AB020*D001-C024*AB008*D001-C015*AB014*D002-C015*AB01 SPDSTV $1*D008+C016*AB002*D008+C013*AB003*D009+C018*AB007*D002-C014*AB001* SPDSTV $D009+C063*AB014*D002-C071*AB007*D002-C051*AB008*D003+C007*AB008*D0 SPDSTV $04-C051*AB003*D009+C052*AB001*D009+C056*AB002*D017-C006*AB002*D018 SPDSTV $+C004*AB008*D003-C002*AB007*D012+C072*AB007*D013-C002*AB002*D017+C SPDSTV $001*AB001*D028-C054*AB001*D029-C069*AB008*D004+C055*AB002*D01
8) SPDSTV
EP82=OF8*(+C011*AB009*D001-C008*AB004*D008-C008*AB007*D005+C012*AB SPDSTV $001*D010+C021*AB021*D001-C015*AB012*D008-C015*AB014*D005+C013*AB00 SPDSTV $3*D010-C025*AB009*D001+C018*AB004*D008+C018*AB007*D005-C014*AB001* SPDSTV $D010+C063*AB015*D002-C051*AB005*D009-C051*AB008*D006+C056*AB002*D0 SPDSTV $19+C004*AB009*D003-C002*AB004*D017-C002*AB007*D014+C001*AB001*D030 SPDSTV $-C069*AB009*D004+C055*AB004*D018+C055*AB007*D015-C050*AB001*D031) SPDSTV
EP92=OF8*(+C017*AB001*D001+C018*AB003*D001-C019*AB001*D001+C052*AB SPDSTV $002*D002+C003*AB001*D003-C058*AB001*D004+C011*AB010*D001-C020*AB00 SPDSTV $1*D001-C052*AB007*D008+C012*AB001*D011-C059*AB001*D004+C021*AB022* SPDSTV $D001-C025*AB003*D001-C060*AB014*D008+C013*AB003*D011-C061*AB003*D0 SPDSTV $04-C025*AB010*D001+C026*AB001*D001+C073*AB007*D008-C014*AB001*D011 SPDSTV $+C062*AB001*D004+C063*AB016*D002-C071*AB002*D002-C064*AB008*D009+C SPDSTV $056*AB002*D020-C006*AB002*D013+C004*AB010*D003-C005*AB001*D00
3-C04 SPDSTV $9*AB007*D017+C001*AB001*D032-C050*AB001*D022-C069*AB010*D004+C070* SPDSTV $AB001*D004+C002*AB007*D018-C050*AB001*D033+C074*AB001*D023) SPDSTV
EP23=OF5*(-C008*AB004*D001-C003*AB001*D005-C009*AB012*D001+C011*AB SPDSTV $004*D001+C051*AB005*D002-C006*AB004*D003+C053*AB004*D004-C004*AB00 SPDSTV $3*D005+C005*AB001*D005+C049*AB002*D006-C001*AB001*D014+C050*AB001* SPDSTV $D015) SPDSTV
EP43=OF5*(-C009*AB013*D001+C007*AB006*D002+C011*AB002*D001-C008*AB SPDSTV $001*D002+C007*AB005*D005-C006*AB004*D006-C004*AB005*D005+C002*AB00 SPDSTV $4*D006+C002*AB002*D007-C001*AB001*D016-C055*AB002*D004+C050*AB001* SPDSTV $D013) SPDSTV
EP53=OF5*(-C008*AB004*D001-C003*AB001*D005-C009*AB023*D001+C010*AB SPDSTV $004*D001+C051*AB006*D005-C052*AB001*D005-C006*AB004*D007+C053*AB00 SPDSTV $4*D004-C004*AB006*D005+C005*AB001*D005+C049*AB004*D007-C002*AB004* SPDSTV $D004-C001*AB001*D034+C054*AB001*D015) SPDSTV
EP73=OF5*(-C009*AB015*D001+C007*AB009*D002+C007*AB005*D008-C006*AB SPDSTV $004*D009-C004*AB008*D005+C002*AB007*D006+C002*AB002*D010-C001*AB00 SPDSTV $1*D019) SPDSTV
EP83=OF5*(-C009*AB024*D001+C007*AB006*D008+C011*AB007*D001-C008*AB SPDSTV $001*D008+C007*AB009*D005-C006*AB004*D010-C004*AB009*D005+C002*AB00 SPDSTV $4*D010+C002*AB007*D007-C001*AB001*D035-C055*AB007*D004+C050*AB001* SPDSTV $D018) SPDSTV
EP93=OF5*(-C008*AB004*D001-C003*AB001*D005-C009*AB025*D001+C011*AB SPDSTV $004*D001+C051*AB009*D008-C006*AB004*D011+C053*AB004*D004-C004*AB01 SPDSTV $0*D005+C005*AB001*D005+C049*AB007*D010-C001*AB001*D036+C050*AB001* SPDSTV $D015) SPDSTV
EP24=OF8*(+C018*AB005*D001+C008*AB004*D002+C008*AB002*D005+C003*AB SPDSTV $001*D006+C021*AB018*D001-C024*AB005*D001-C060*AB012*D002+C073*AB00 SPDSTV $4*D002+C013*AB005*D003-C061*AB005*D004+C009*AB012*D002-C011*AB004* SPDSTV $D002-C051*AB005*D003+C007*AB005*D004+C006*AB004*D012-C075*AB004*D0 SPDSTV $13+C009*AB011*D005-C010*AB002*D005-C051*AB003*D006+C052*AB001*D006 SPDSTV $+C006*AB002*D014-C053*AB002*D015+C004*AB003*D006-C005*AB001*D006-C SPDSTV $049*AB002*D014+C002*AB002*D015+C001*AB001*D024-C054*AB001*D02
5) SPDSTV
EP44=OF8*(+C021*AB019*D001-C025*AB006*D001-C015*AB013*D002-C025*AB SPDSTV $003*D001+C026*AB001*D001+C018*AB002*D002-C015*AB012*D005+C018*AB00 SPDSTV $4*D005+C013*AB005*D006+C009*AB013*D002-C007*AB006*D003+C076*AB006* SPDSTV $D004-C011*AB002*D002+C008*AB001*D003-C008*AB001*D004-C051*AB005*D0 SPDSTV $06+C006*AB004*D014-C053*AB004*D015+C009*AB012*D005-C011*AB004*D005 SPDSTV $-C007*AB003*D007+C008*AB001*D007+C006*AB002*D016+C076*AB003*D004-C SPDSTV $053*AB002*D013+C004*AB005*D006-C002*AB004*D014+C055*AB004*D01
5-C00 SPDSTV $2*AB002*D016+C001*AB001*D026-C050*AB001*D027+C055*AB002*D013-C050* SPDSTV $AB001*D022+C074*AB001*D023) SPDSTV
EP54=OF8*(+C018*AB005*D001+C008*AB004*D002+C008*AB002*D005+C003*AB SPDSTV $001*D006+C021*AB026*D001-C024*AB005*D001-C060*AB013*D005+C073*AB00 SPDSTV $2*D005+C013*AB005*D007-C061*AB005*D004+C009*AB023*D002-C010*AB004* SPDSTV $D002-C051*AB006*D006+C052*AB001*D006+C006*AB004*D016-C053*AB004*D0 SPDSTV $13+C009*AB013*D005-C011*AB002*D005-C051*AB005*D007+C007*AB005*D004 SPDSTV $+C006*AB002*D034-C075*AB002*D015+C004*AB006*D006-C005*AB001*D006-C SPDSTV $049*AB004*D016+C002*AB004*D013+C001*AB001*D037-C054*AB001*D02
5) SPDSTV
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