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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
LABEL=' CO-HE (THOMAS, ET AL POTL) // CC ',
URED=3.503, ISIGPR=1, ISCRU=1, ISAVEU=0, PRNTLV=3,
RMIN=3.5, IRMSET=8, RMAX=30., IRXSET=1,
INTFLG=4, DR=.07, RVFAC=1.1,
NNRG=1, ENERGY= 50., IFEGEN=2,
JTOTL=0,JTOTU=10,
NLPRBR=3, LINE=1,2,1,2, 2,3,2,3, 1,2,2,3,
LASTIN=0,
&END
&BASIS ITYPE= 1, BE=1.92265,
JMAX= 4,
&END
&POTL MXSYM=7, LAMBDA=0,1,2,3,4,5,6, NTERM=7*6,
NPOWER=5*0,-6, 5*0,-7, 5*0,-6, 5*0,-7, 5*0,-8, 5*0,-8, 5*0,-8,
A=37.9768, -11.7923, 3.06004, -.575762, .065529, -29.5779,
36.6203, -8.76206, 2.72019, -.525131, .069589, -433.277,
62.5331, -24.3656, 7.52403, -1.51857, .193626, -105.355,
22.6280, -7.38362, 1.99509, -.349623, .036989, -183.514,
45.2342, 4.97911, .652702, -.177533, .023365, -231.362,
65.5859, -12.4564, 3.79673, -.563704, .058920, -355.896,
205.1178, -47.52376, 12.40027, -1.62025, 0.17479, -378.1692,
E=-1.55556, -1.24444, -.995556, -.796444, -.637156,
-1.55309, -1.24247, -.993975, -.795180, -.636144,
-1.48395, -1.18716, -.949728, -.759783, -.607826,
-1.47037, -1.17630, -.941037, -.752830, -.602264,
-2.08272, -1.66617, -1.33294, -1.06635, -.853080,
-2.11728, -1.69383, -1.35508, -1.08405, -.867240,
-2.45185, -1.96148, -1.56919, -1.25535, -1.00428,
RM=.529177, EPSIL=219450.,
&END
&INPUT
LABEL=' CO-HE (THOMAS, ET AL POTL) // CS ',
URED=3.503, ISIGPR=1, ISCRU=1, ISAVEU=0, PRNTLV=3,
RMIN=3.5, IRMSET=8, RMAX=30., IRXSET=1,
INTFLG=2, STEPS=8., STEST=.001,
NNRG=1, ENERGY= 50., IFEGEN=2,
JTOTL=0,JTOTU=10,
NLPRBR=3, LINE=1,2,1,2, 2,3,2,3, 1,2,2,3,
LASTIN=0,
&END
&BASIS ITYPE=21, BE=1.92265,
JMAX= 4, JZCSMX=2,
&END
&POTL MXSYM=7, LAMBDA=0,1,2,3,4,5,6, NTERM=7*6,
NPOWER=5*0,-6, 5*0,-7, 5*0,-6, 5*0,-7, 5*0,-8, 5*0,-8, 5*0,-8,
A=37.9768, -11.7923, 3.06004, -.575762, .065529, -29.5779,
36.6203, -8.76206, 2.72019, -.525131, .069589, -433.277,
62.5331, -24.3656, 7.52403, -1.51857, .193626, -105.355,
22.6280, -7.38362, 1.99509, -.349623, .036989, -183.514,
45.2342, 4.97911, .652702, -.177533, .023365, -231.362,
65.5859, -12.4564, 3.79673, -.563704, .058920, -355.896,
205.1178, -47.52376, 12.40027, -1.62025, 0.17479, -378.1692,
E=-1.55556, -1.24444, -.995556, -.796444, -.637156,
-1.55309, -1.24247, -.993975, -.795180, -.636144,
-1.48395, -1.18716, -.949728, -.759783, -.607826,
-1.47037, -1.17630, -.941037, -.752830, -.602264,
-2.08272, -1.66617, -1.33294, -1.06635, -.853080,
-2.11728, -1.69383, -1.35508, -1.08405, -.867240,
-2.45185, -1.96148, -1.56919, -1.25535, -1.00428,
RM=.529177, EPSIL=219450.,
&END
&INPUT
LABEL=' CO-HE (THOMAS, ET AL POTL) // IOS ',
URED=3.503, ISIGPR=1, ISCRU=1, ISAVEU=0, PRNTLV=3,
RMIN=3.5, IRMSET=8,RMAX=30., IRXSET=1,
INTFLG=-1, NGMP=18,1,22, TOL=.002,
INTFLG=6, STEPS=5.,
NNRG=1, ENERGY= 50., IFEGEN=2,
JTOTL=0,JTOTU=10, LMAX= 9,
NLPRBR=3, LINE=1,2,1,2, 2,3,2,3, 1,2,2,3,
&END
&BASIS ITYPE=101, BE=1.92265,
JMAX= 4, IOSNGP=12,
&END
&POTL MXSYM=7, LAMBDA=0,1,2,3,4,5,6, NTERM=7*6,
NPOWER=5*0,-6, 5*0,-7, 5*0,-6, 5*0,-7, 5*0,-8, 5*0,-8, 5*0,-8,
A=37.9768, -11.7923, 3.06004, -.575762, .065529, -29.5779,
36.6203, -8.76206, 2.72019, -.525131, .069589, -433.277,
62.5331, -24.3656, 7.52403, -1.51857, .193626, -105.355,
22.6280, -7.38362, 1.99509, -.349623, .036989, -183.514,
45.2342, 4.97911, .652702, -.177533, .023365, -231.362,
65.5859, -12.4564, 3.79673, -.563704, .058920, -355.896,
205.1178, -47.52376, 12.40027, -1.62025, 0.17479, -378.1692,
E=-1.55556, -1.24444, -.995556, -.796444, -.637156,
-1.55309, -1.24247, -.993975, -.795180, -.636144,
-1.48395, -1.18716, -.949728, -.759783, -.607826,
-1.47037, -1.17630, -.941037, -.752830, -.602264,
-2.08272, -1.66617, -1.33294, -1.06635, -.853080,
-2.11728, -1.69383, -1.35508, -1.08405, -.867240,
-2.45185, -1.96148, -1.56919, -1.25535, -1.00428,
RM=.529177, EPSIL=219450.,
&END
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