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Searched refs:ICENT (Results 1 – 25 of 61) sorted by relevance

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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/
H A Dabamolden.F141 ICENT = 0
154 ICENT = ICENT + 1
155 NDEG = NUCDEG(ICENT)
245 DO 100 ICENT = 1, NUCIND
246 ICHARGE = IZATOM(ICENT)
251 MULCNT = ISTBNU(ICENT)
257 NAME(J:J) = NAMN(ICENT)(I:I)
304 DO, ICENT = 1, NUCIND
305 ICHARGE = NINT(CHARGE(ICENT))
306 MULCNT = ISTBNU(ICENT)
[all …]
H A Dabawfn.F73 ICENT = 0
77 ICENT = ICENT + 1
78 NCENTER = NCENTER + NUCDEG(ICENT)
85 print *, I,ICENT,KBCH,NRC(KBCH),NUCDEG(ICENT),KHK(J),NAO
133 ICENT = 0
142 ICENT = ICENT + 1
143 NDEG = NUCDEG(ICENT)
241 ICENT = IPCEN(ISAO)
242 J = NUCDEG(ICENT)
462 INTEGER IOS, ICENT, MCENT, LCENT, I, N local
[all …]
H A Dherrdn.F2549 ICENT = ICENT + 1
2578 & NAMN(ICENT)(1:2),MULBSI(ICENT),NUCTYP,
2582 & NAMN(ICENT)(1:2),MULBSI(ICENT),NUCTYP,
3368 ICENT = ICENT + 1
3576 ICENT = ICENT + 1
3686 ICENT = ICENT + 1
4453 NBCENT(ICENT,ISYM) = NBCENT(ICENT,ISYM) + 1
4607 & NAMN(ICENT),(IPTNUC(ICENT,IREP),IREP = 0,MAXREP)
4713 & DISOTP(IZATOM(ICENT),ISOTOP(ICENT),'MASS')
5771 ICENT = ICENT + 1
[all …]
H A Dabavrml.F713 DO 40 ICENT = 1, NUCIND
714 MULCNT = ISTBNU(ICENT)
731 & FAC*PT(IAND(ISYMAX(1,1),ISYMOP))*EVEC2((ICENT-1)*3+1)
733 & FAC*PT(IAND(ISYMAX(2,1),ISYMOP))*EVEC2((ICENT-1)*3+2)
735 & FAC*PT(IAND(ISYMAX(3,1),ISYMOP))*EVEC2((ICENT-1)*3+3)
1012 DO 10 ICENT = 1, NUCIND
1013 MULCNT = ISTBNU(ICENT)
1017 ATMARR(IATOM,1) = IZATOM(ICENT)
1019 & FAC*PT(IAND(ISYMAX(1,1),ISYMOP))*CORD(1,ICENT)
1021 & FAC*PT(IAND(ISYMAX(2,1),ISYMOP))*CORD(2,ICENT)
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Ddft_grid.F263 ICENT = NCENT(ISHELL)
264 IF(ICENT.NE.JCENT) THEN
265 JCENT = ICENT
276 NUCORB(ILVAL,IC,ICENT) = 0
277 AA(1,ILVAL,IC,ICENT)=D0
278 AA(2,ILVAL,IC,ICENT)=DUMMY
280 NUCORB(ILVAL,IC,ICENT)=NUCORB(ILVAL,IC,ICENT)+1
287 AA(1,ILVAL,IC,ICENT)=MAX(AA(1,ILVAL,IC,ICENT),A)
288 AA(2,ILVAL,IC,ICENT)=MIN(AA(2,ILVAL,IC,ICENT),A)
H A Ddft_aux.F223 SUBROUTINE GET_ATOM_BY_ICENT(ICENT,ZCNT,NAT,NDEG,X,Y,Z) argument
234 ZCNT = ABS(IZATOM(ICENT))
235 MULCNT = ISTBNU(ICENT)
238 IF(NAMN(ICENT)(1:2).NE.'Gh') THEN
242 X(NAT) = PT(IAND(ISYMAX(1,1),ISYMOP))*CORD(1,ICENT)
243 Y(NAT) = PT(IAND(ISYMAX(2,1),ISYMOP))*CORD(2,ICENT)
244 Z(NAT) = PT(IAND(ISYMAX(3,1),ISYMOP))*CORD(3,ICENT)
/dports/science/dcl/dcl-5.4.8/src/grph1/sgpack/
H A Dsgtxzr.f4 SUBROUTINE SGTXZR(RX,RY,CHARS,RSIZE,IROTA,ICENT,INDEX) argument
16 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
27 CALL SZTXOP(RSIZE,IROTA,ICENT,INDEX)
H A Dsgtxzu.f4 SUBROUTINE SGTXZU(UX,UY,CHARS,RSIZE,IROTA,ICENT,INDEX) argument
16 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
27 CALL SZTXOP(RSIZE,IROTA,ICENT,INDEX)
H A Dsgtxzv.f4 SUBROUTINE SGTXZV(VX,VY,CHARS,RSIZE,IROTA,ICENT,INDEX) argument
16 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
27 CALL SZTXOP(RSIZE,IROTA,ICENT,INDEX)
H A Dsgtxxr.f2 SUBROUTINE SGTXXR(RX,RY,CHARS,RSIZE,IROTA,ICENT,INDEX,ICOLOR) argument
19 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
33 CALL SZTXOP(RSIZE,IROTA,ICENT,INDEX)
H A Dsgtxxu.f2 SUBROUTINE SGTXXU(UX,UY,CHARS,RSIZE,IROTA,ICENT,INDEX,ICOLOR) argument
19 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
33 CALL SZTXOP(RSIZE,IROTA,ICENT,INDEX)
H A Dsgtxxv.f2 SUBROUTINE SGTXXV(VX,VY,CHARS,RSIZE,IROTA,ICENT,INDEX,ICOLOR) argument
20 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
34 CALL SZTXOP(RSIZE,IROTA,ICENT,INDEX)
H A Dsgtxu.f115 ENTRY SGSTXC(ICENT)
117 ICENTZ=ICENT
121 ENTRY SGQTXC(ICENT)
123 ICENT=ICENTZ
/dports/graphics/xd3d/xd3d-8.3.1/src/d3d/
H A Drayons.f170 ICENT = I
181 IF (ICOR(I).NE.0.AND.I.NE.ICENT) THEN
182 DD = (X(I)-X(ICENT))**2 + (Y(I)-Y(ICENT))**2
207 ICENT = 0
211 IF (ICOR(I).NE.0.AND.I.NE.ICENT) THEN
212 IF (Z(I).NE.Z(ICENT)) THEN
213 RAYON0(I) = .5*( Z(ICENT)-Z(I)
214 & + (X(I)**2+Y(I)**2)/(Z(ICENT)-Z(I)) )
238 RAYON0(ICENT) = RR/REAL(II)
240 RAYON0(ICENT) = 1000.
/dports/science/dcl/dcl-5.4.8/src/grph2/uypack/
H A Duyplba.f6 SUBROUTINE UYPLBA(UY,CH,NC,N,UPX,ROFFY,RSIZE,IROTA,ICENT,INDEX) argument
24 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
34 CALL SZTXOP(RSIZE,IROTA*90,ICENT,INDEX)
H A Duyplbb.f6 SUBROUTINE UYPLBB(UY,CH,NC,N,UPX,ROFFY,RSIZE,IROTA,ICENT,INDEX, argument
26 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
36 CALL SZTXOP(RSIZE,IROTA*90,ICENT,INDEX)
H A Duyplbl.f33 CALL UZIGET('ICENTY'//CSIDE,ICENT)
75 IC=JROTA*ICENT*IFLAG
80 CALL UYPLBB(UY,CH,NC,N,POSX,ROFFZ,RSIZE,IROTA,ICENT,INDEX,
83 CALL UYPLBA(UY,CH,NC,N,POSX,ROFFZ,RSIZE,IROTA,ICENT,INDEX)
H A Duypttl.f36 ICENT=0
69 IC=JROTA*ICENT*IFLAG
73 CALL UYPLBB(UY,CTTL,NC,2,POSX,ROFFZ,RSIZE,IROTA,ICENT,INDEX,
/dports/science/dcl/dcl-5.4.8/src/grph2/uxpack/
H A Duxplba.f6 SUBROUTINE UXPLBA(UX,CH,NC,N,UPY,ROFFX,RSIZE,IROTA,ICENT,INDEX) argument
24 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
34 CALL SZTXOP(RSIZE,IROTA*90,ICENT,INDEX)
H A Duxplbb.f6 SUBROUTINE UXPLBB(UX,CH,NC,N,UPY,ROFFX,RSIZE,IROTA,ICENT,INDEX, argument
26 IF (.NOT.(-1.LE.ICENT .AND. ICENT.LE.1)) THEN
36 CALL SZTXOP(RSIZE,IROTA*90,ICENT,INDEX)
H A Duxplbl.f33 CALL UZIGET('ICENTX'//CSIDE,ICENT)
75 IC=JROTA*ICENT*IFLAG
80 CALL UXPLBB(UX,CH,NC,N,POSY,ROFFZ,RSIZE,IROTA,ICENT,INDEX,
83 CALL UXPLBA(UX,CH,NC,N,POSY,ROFFZ,RSIZE,IROTA,ICENT,INDEX)
H A Duxpttl.f36 ICENT=0
69 IC=JROTA*ICENT*IFLAG
73 CALL UXPLBB(UX,CTTL,NC,2,POSY,ROFFZ,RSIZE,IROTA,ICENT,INDEX,
/dports/science/afni/afni-AFNI_21.3.16/src/coxplot/
H A Dpwrit.f4 SUBROUTINE PWRIT( X , Y , CH , NCH , ISIZ , IOR , ICENT ) argument
65 IF( ICENT .NE. -2 )THEN
69 IF( ICENT .EQ. 0 )THEN
72 ELSEIF( ICENT .EQ. +1 )THEN
/dports/science/dcl/dcl-5.4.8/src/grph1/szpack/
H A Dsztxop.f4 SUBROUTINE SZTXOP(RSIZE,IROTA,ICENT,INDEX) argument
26 ICENTZ=ICENT
44 WRITE(COBJ,'(F8.5,5I8)') RSIZE,IROTA,ICENT,INDEX,IFONT,IWS
/dports/science/dcl/dcl-5.4.8/src/grph2/ugpack/
H A Dugvect.f29 CALL UGIGET('ICENT ',ICENT )
184 VX1=VX0-U(I,J)*(ICENT+1)/2.0*AU
185 VX2=VX0-U(I,J)*(ICENT-1)/2.0*AU
186 VY1=VY0-V(I,J)*(ICENT+1)/2.0*AV
187 VY2=VY0-V(I,J)*(ICENT-1)/2.0*AV

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