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molscat
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README,
README.jkl,
README.v12,
dblas.f,
dblas.f.Z,
dcs_save.f,
diag_eispack.f,
ghm_save.f,
ghm_subs.f,
ghm_vib.f,
ident2disting.f,
lapack.f,
lapack.f.Z,
prbr_save.f,
prbr_vib.f,
read_isigu.f,
restrt.v12.f,
sbe.doc,
sbe_save.f,
sig_save.f,
spline.f,
syminv.f,
test1.input,
test1.v12.out,
test1.v14.out,
test2.input,
test2.v12.out,
test2.v14.out,
test3.f,
test3.input,
test3.v12.input,
test3.v12.out,
test3.v14.out,
test5.f,
test5.input,
test5.v12.out,
test5.v14.out,
test6.input,
test6.v12.out,
test6.v14.out,
test8.input,
test8.v12.out,
test8.v14.out,
timers.f,
timers_c.c,
v12.f,
v14.doc.tar,
v14.f,
v14.f.Z,
version_12.doc,
version_14.doc,
version_14.tutorial,
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&INPUT URED=1.,
LABEL=' P-H2 - P-H2 W/ SE POTL OF ZARUR AND RABITZ FROM VSTAR ',
NNRG=2, ENERGY=1209.9, 806.6,
RMIN=.43, IRMSET=9, RMAX=20.,
INTFLG=3, DR=.03, RVFAC=1.1,
JTOTL=0, JTOTU=2, PRNTLV=3,
ISCRU=1, ISIGPR=1,
LASTIN=0,
&END
&BASIS ITYPE=3, BE=2*60.8, NLEVEL=3, JLEVEL=0,0, 2,0, 2,2,
IDENT=1, SPNUC=0.,
&END
&POTL MXSYM=4, NTERM=4*-1, LAMBDA=0,0,0, 2,0,2, 0,2,2, 2,2,4,
&END
&INPUT URED=1.,
LABEL=' P-H2 - O-H2 W/ SE POTL OF ZARUR AND RABITZ FROM VSTAR ',
NNRG=2, ENERGY=2016.4, 1613.1,
RMIN=.43, IRMSET=8, RMAX=20.,
INTFLG=8, STEPS=5., RVFAC=1.3, TOLHI=1.07,
JTOTL=10, JTOTU=12, PRNTLV=3,
ISCRU=1, ISIGPR=1,
LASTIN=0,
&END
&BASIS ITYPE=3, BE=2*60.8, NLEVEL=3, JLEVEL=0,1, 0,3, 2,1,
&END
&POTL MXSYM=4, NTERM=4*-1, LAMBDA=0,0,0, 2,0,2, 0,2,2, 2,2,4,
&END
&INPUT URED=1.,
LABEL=' P-H2 - O-H2 W/ SE POTL OF ZARUR AND RABITZ, PROJECTED VRTP',
NNRG=2, ENERGY=2016.4, 1613.1,
RMIN=.43, IRMSET=8, RMAX=20.,
INTFLG=8, STEPS=5., RVFAC=1.3, TOLHI=1.07,
JTOTL=10, JTOTU=12, PRNTLV=3,
ISCRU=1, ISIGPR=1,
LASTIN=1,
&END
&BASIS ITYPE=3, BE=2*60.8, NLEVEL=3, JLEVEL=0,1, 0,3, 2,1,
&END
&POTL MXSYM=4, NTERM=4*-1, LAMBDA=0,0,0, 2,0,2, 0,2,2, 2,2,4,
LVRTP=.TRUE., NPTS=6,6,3,
&END
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