hdiff output

r31920/Farkas.f 2017-02-15 20:30:10.692955658 +0000 r31919/Farkas.f 2017-02-15 20:30:10.912958616 +0000
 29:  29: 
 30:       integer j1, j2, lfden, lfembed, lfpair, natoms 30:       integer j1, j2, lfden, lfembed, lfpair, natoms
 31:       double precision fdenx(500), fdeny(500), fdeny2(500), 31:       double precision fdenx(500), fdeny(500), fdeny2(500),
 32:      1                 fembedx(500), fembedy(500), fembedy2(500), 32:      1                 fembedx(500), fembedy(500), fembedy2(500),
 33:      2                 fpairx(500), fpairy(500), fpairy2(500), 33:      2                 fpairx(500), fpairy(500), fpairy2(500),
 34:      3                 vpair, f, rho(NATOMS), x(3*NATOMS), eFark,  34:      3                 vpair, f, rho(NATOMS), x(3*NATOMS), eFark, 
 35:      4                 rhotemp, dist, rcut, gradFark(3*NATOMS), df(NATOMS),  35:      4                 rhotemp, dist, rcut, gradFark(3*NATOMS), df(NATOMS), 
 36:      5                 dvtemp, dvtemp1, dvtemp2, dvtemp3, drho, 36:      5                 dvtemp, dvtemp1, dvtemp2, dvtemp3, drho,
 37:      6                 dvpair, vptemp, rcutsq, dvplo, rmin 37:      6                 dvpair, vptemp, rcutsq, dvplo, rmin
 38:       logical GRADT 38:       logical GRADT
 39:       common /cfarkas/ fdenx, fdeny, fdeny2, 39:       common /cfarkas/ lfden, lfembed, lfpair, 
 40:      1                fembedx, fembedy, fembedy2, 40:      1                fdenx, fdeny, fdeny2,
 41:      2                fpairx, fpairy, fpairy2, 41:      2                fembedx, fembedy, fembedy2,
 42:      3                lfden, lfembed, lfpair 42:      3                fpairx, fpairy, fpairy2
 43:  43: 
 44: C Calculate energy 44: C Calculate energy
 45:  45: 
 46:       rcut=fpairx(lfpair) 46:       rcut=fpairx(lfpair)
 47:       rmin=fpairx(1) 47:       rmin=fpairx(1)
 48:       rcutsq=rcut**2 48:       rcutsq=rcut**2
 49:       call dsplint(fpairx,fpairy,fpairy2,lfpair,fpairx(1),dvplo) 49:       call dsplint(fpairx,fpairy,fpairy2,lfpair,fpairx(1),dvplo)
 50:       eFark=0.0d0 50:       eFark=0.0d0
 51:       DO 22 J1=1,NATOMS 51:       DO 22 J1=1,NATOMS
 52:          RHO(J1)=0.0d0 52:          RHO(J1)=0.0d0
147: 147: 
148:       SUBROUTINE NIINIT148:       SUBROUTINE NIINIT
149: 149: 
150:       implicit none150:       implicit none
151: 151: 
152:       integer i, lfden, lfembed, lfpair152:       integer i, lfden, lfembed, lfpair
153:       double precision fdenx(500), fdeny(500), fdeny2(500),153:       double precision fdenx(500), fdeny(500), fdeny2(500),
154:      1                 fembedx(500), fembedy(500), fembedy2(500),154:      1                 fembedx(500), fembedy(500), fembedy2(500),
155:      2                 fpairx(500), fpairy(500), fpairy2(500),155:      2                 fpairx(500), fpairy(500), fpairy2(500),
156:      3                 dylo, dyhi156:      3                 dylo, dyhi
157:       common /cfarkas/ fdenx, fdeny, fdeny2,157:       common /cfarkas/ lfden, lfembed, lfpair, 
158:      1                fembedx, fembedy, fembedy2,158:      1                fdenx, fdeny, fdeny2,
159:      2                fpairx, fpairy, fpairy2,159:      2                fembedx, fembedy, fembedy2,
160:      3                lfden, lfembed, lfpair160:      3                fpairx, fpairy, fpairy2
161: 161: 
162:       open(unit=8,file='ni.den',status='old')162:       open(unit=8,file='ni.den',status='old')
163:       read(8,*)163:       read(8,*)
164:       read(8,*)164:       read(8,*)
165:       read(8,*)165:       read(8,*)
166:       read(8,*)166:       read(8,*)
167:       read(8,*)167:       read(8,*)
168:       read(8,*)168:       read(8,*)
169:       read(8,*) dylo, dyhi169:       read(8,*) dylo, dyhi
170:       read(8,*)170:       read(8,*)
238: 238: 
239:       SUBROUTINE ALINIT239:       SUBROUTINE ALINIT
240: 240: 
241:       implicit none241:       implicit none
242: 242: 
243:       integer i, lfden, lfembed, lfpair243:       integer i, lfden, lfembed, lfpair
244:       double precision fdenx(500), fdeny(500), fdeny2(500),244:       double precision fdenx(500), fdeny(500), fdeny2(500),
245:      1                 fembedx(500), fembedy(500), fembedy2(500),245:      1                 fembedx(500), fembedy(500), fembedy2(500),
246:      2                 fpairx(500), fpairy(500), fpairy2(500), 246:      2                 fpairx(500), fpairy(500), fpairy2(500), 
247:      3                 dylo, dyhi247:      3                 dylo, dyhi
248:       common /cfarkas/ fdenx, fdeny, fdeny2,248:       common /cfarkas/ lfden, lfembed, lfpair, 
249:      1                fembedx, fembedy, fembedy2,249:      1                fdenx, fdeny, fdeny2,
250:      2                fpairx, fpairy, fpairy2,250:      2                fembedx, fembedy, fembedy2,
251:      3                lfden, lfembed, lfpair251:      3                fpairx, fpairy, fpairy2
252: 252: 
253:       open(unit=8,file='al.den',status='old')253:       open(unit=8,file='al.den',status='old')
254:       read(8,*)254:       read(8,*)
255:       read(8,*)255:       read(8,*)
256:       read(8,*)256:       read(8,*)
257:       read(8,*)257:       read(8,*)
258:       read(8,*)258:       read(8,*)
259:       read(8,*)259:       read(8,*)
260:       read(8,*) dylo, dyhi260:       read(8,*) dylo, dyhi
261:       read(8,*)261:       read(8,*)


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hdiff - version: 2.1.0