GitHub - HPQC-LABS/potfit: Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data · GitHub

Name		Name	Last commit message	Last commit date
Latest commit History 46 Commits
retardation		retardation
test_suite		test_suite
AFdiag.f		AFdiag.f
BLKBOB.h		BLKBOB.h
BLKBOBRF.h		BLKBOBRF.h
BLKCOUNT.h		BLKCOUNT.h
BLKDATA.h		BLKDATA.h
BLKDVDP.h		BLKDVDP.h
BLKISOT.h		BLKISOT.h
BLKPARAM.h		BLKPARAM.h
BLKPOT.h		BLKPOT.h
BLKTYPE.h		BLKTYPE.h
Cs2fit.f		Cs2fit.f
DPot1_2.f		DPot1_2.f
DPot1_3.f		DPot1_3.f
DPot2_0.f		DPot2_0.f
Makefile		Makefile
PSfunc.f		PSfunc.f
Qdvirdp.f		Qdvirdp.f
alf.f		alf.f
arrsizes.h		arrsizes.h
cdjoel.f		cdjoel.f
dampF.f		dampF.f
diffstats.f		diffstats.f
dpotfit.f		dpotfit.f
dpsidp.f		dpsidp.f
dvacdp.f		dvacdp.f
dvirdp.f		dvirdp.f
dyidpj.f		dyidpj.f
fununc.f		fununc.f
gpround.f		gpround.f
mappar.f		mappar.f
masses16.f		masses16.f
mkpredict.f		mkpredict.f
nllssrr.f		nllssrr.f
prepott.f		prepott.f
quadCORR.f		quadCORR.f
readata.f		readata.f
readpot.f		readpot.f
scecor.f		scecor.f
schrq.f		schrq.f
tstVGENmlr.f		tstVGENmlr.f
tvsort.f		tvsort.f
uncbv.f		uncbv.f
vgen.f		vgen.f
vgenMLR.f		vgenMLR.f
vgenp.f		vgenp.f
vgenpPatk.f		vgenpPatk.f
writepot.f		writepot.f

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Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data

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