OSDN Git Service

MOPAC 6.06 is included in the binary
authortoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Fri, 1 Nov 2013 10:56:40 +0000 (10:56 +0000)
committertoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Fri, 1 Nov 2013 10:56:40 +0000 (10:56 +0000)
commit1b05a5a8d8854d87768a988540c33005721e96a5
treed31d179d1be518b21ea2033eadb59635d8f5a360
parent43de0e624cd42979b9f5ef9ce0873fce47aba348
MOPAC 6.06 is included in the binary

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@411 a2be9bc6-48de-4e38-9406-05402d4bc13c
197 files changed:
Makefile
Makefile_mopac606_nbo [new file with mode: 0644]
Scripts/gamess.rb
Scripts/mopac6.rb [new file with mode: 0755]
mopac606_nbo/doc/mopac.hlp [new file with mode: 0644]
mopac606_nbo/doc/mopac6.doc [new file with mode: 0644]
mopac606_nbo/doc/update.doc [new file with mode: 0644]
mopac606_nbo/src/1scf.dat [new file with mode: 0644]
mopac606_nbo/src/MOHELP [new file with mode: 0644]
mopac606_nbo/src/Makefile [new file with mode: 0644]
mopac606_nbo/src/Makefile.orig [new file with mode: 0644]
mopac606_nbo/src/SIZES [new file with mode: 0644]
mopac606_nbo/src/aaainvoice.newtxt [new file with mode: 0644]
mopac606_nbo/src/aaainvoice.newtxt.bak [new file with mode: 0644]
mopac606_nbo/src/aababc.f [new file with mode: 0644]
mopac606_nbo/src/analyt.f [new file with mode: 0644]
mopac606_nbo/src/anavib.f [new file with mode: 0644]
mopac606_nbo/src/axis.f [new file with mode: 0644]
mopac606_nbo/src/block.f [new file with mode: 0644]
mopac606_nbo/src/bonds.f [new file with mode: 0644]
mopac606_nbo/src/brlzon.f [new file with mode: 0644]
mopac606_nbo/src/calpar.f [new file with mode: 0644]
mopac606_nbo/src/capcor.f [new file with mode: 0644]
mopac606_nbo/src/cdiag.f [new file with mode: 0644]
mopac606_nbo/src/chrge.f [new file with mode: 0644]
mopac606_nbo/src/cnvg.f [new file with mode: 0644]
mopac606_nbo/src/compfg.f [new file with mode: 0644]
mopac606_nbo/src/compile.com [new file with mode: 0644]
mopac606_nbo/src/date.f [new file with mode: 0644]
mopac606_nbo/src/datin.f [new file with mode: 0644]
mopac606_nbo/src/dcart.f [new file with mode: 0644]
mopac606_nbo/src/delmol.f [new file with mode: 0644]
mopac606_nbo/src/delri.f [new file with mode: 0644]
mopac606_nbo/src/denrot.f [new file with mode: 0644]
mopac606_nbo/src/densit.f [new file with mode: 0644]
mopac606_nbo/src/depvar.f [new file with mode: 0644]
mopac606_nbo/src/deri0.f [new file with mode: 0644]
mopac606_nbo/src/deri1.f [new file with mode: 0644]
mopac606_nbo/src/deri2.f [new file with mode: 0644]
mopac606_nbo/src/deri21.f [new file with mode: 0644]
mopac606_nbo/src/deri22.f [new file with mode: 0644]
mopac606_nbo/src/deri23.f [new file with mode: 0644]
mopac606_nbo/src/deritr.f [new file with mode: 0644]
mopac606_nbo/src/deriv.f [new file with mode: 0644]
mopac606_nbo/src/dernvo.f [new file with mode: 0644]
mopac606_nbo/src/ders.f [new file with mode: 0644]
mopac606_nbo/src/dfock2.f [new file with mode: 0644]
mopac606_nbo/src/dfpsav.f [new file with mode: 0644]
mopac606_nbo/src/diag.f [new file with mode: 0644]
mopac606_nbo/src/diat.f [new file with mode: 0644]
mopac606_nbo/src/diat2.f [new file with mode: 0644]
mopac606_nbo/src/diis.f [new file with mode: 0644]
mopac606_nbo/src/dijkl1.f [new file with mode: 0644]
mopac606_nbo/src/dijkl2.f [new file with mode: 0644]
mopac606_nbo/src/dipind.f [new file with mode: 0644]
mopac606_nbo/src/dipole.f [new file with mode: 0644]
mopac606_nbo/src/dofs.f [new file with mode: 0644]
mopac606_nbo/src/dot.f [new file with mode: 0644]
mopac606_nbo/src/drc.f [new file with mode: 0644]
mopac606_nbo/src/drcout.f [new file with mode: 0644]
mopac606_nbo/src/ef.f [new file with mode: 0644]
mopac606_nbo/src/elements.dat [new file with mode: 0644]
mopac606_nbo/src/enpart.f [new file with mode: 0644]
mopac606_nbo/src/esp.f [new file with mode: 0644]
mopac606_nbo/src/esp.rof [new file with mode: 0644]
mopac606_nbo/src/exchng.f [new file with mode: 0644]
mopac606_nbo/src/ffhpol.f [new file with mode: 0644]
mopac606_nbo/src/flepo.f [new file with mode: 0644]
mopac606_nbo/src/flepo.f.bak [new file with mode: 0644]
mopac606_nbo/src/fmat.f [new file with mode: 0644]
mopac606_nbo/src/fock1.f [new file with mode: 0644]
mopac606_nbo/src/fock2.f [new file with mode: 0644]
mopac606_nbo/src/force.dat [new file with mode: 0644]
mopac606_nbo/src/force.f [new file with mode: 0644]
mopac606_nbo/src/formxy.f [new file with mode: 0644]
mopac606_nbo/src/forsav.f [new file with mode: 0644]
mopac606_nbo/src/frame.f [new file with mode: 0644]
mopac606_nbo/src/freqcy.f [new file with mode: 0644]
mopac606_nbo/src/geometry.dat [new file with mode: 0644]
mopac606_nbo/src/geout.f [new file with mode: 0644]
mopac606_nbo/src/geoutg.f [new file with mode: 0644]
mopac606_nbo/src/getgeg.f [new file with mode: 0644]
mopac606_nbo/src/getgeo.f [new file with mode: 0644]
mopac606_nbo/src/getsym.f [new file with mode: 0644]
mopac606_nbo/src/gettxt.f [new file with mode: 0644]
mopac606_nbo/src/gmetry.f [new file with mode: 0644]
mopac606_nbo/src/gover.f [new file with mode: 0644]
mopac606_nbo/src/grid.f [new file with mode: 0644]
mopac606_nbo/src/h1elec.f [new file with mode: 0644]
mopac606_nbo/src/haddon.f [new file with mode: 0644]
mopac606_nbo/src/hcore.f [new file with mode: 0644]
mopac606_nbo/src/helect.f [new file with mode: 0644]
mopac606_nbo/src/help.for [new file with mode: 0644]
mopac606_nbo/src/hqrii.f [new file with mode: 0644]
mopac606_nbo/src/ijkl.f [new file with mode: 0644]
mopac606_nbo/src/interp.f [new file with mode: 0644]
mopac606_nbo/src/iter.f [new file with mode: 0644]
mopac606_nbo/src/jcarin.f [new file with mode: 0644]
mopac606_nbo/src/keys.dat [new file with mode: 0644]
mopac606_nbo/src/keys.gpt [new file with mode: 0644]
mopac606_nbo/src/linmin.f [new file with mode: 0644]
mopac606_nbo/src/local.f [new file with mode: 0644]
mopac606_nbo/src/locmin.f [new file with mode: 0644]
mopac606_nbo/src/make_mopnbo.pl [new file with mode: 0644]
mopac606_nbo/src/mamult.f [new file with mode: 0644]
mopac606_nbo/src/matout.f [new file with mode: 0644]
mopac606_nbo/src/matpak.f [new file with mode: 0644]
mopac606_nbo/src/meci.f [new file with mode: 0644]
mopac606_nbo/src/mecid.f [new file with mode: 0644]
mopac606_nbo/src/mecih.f [new file with mode: 0644]
mopac606_nbo/src/mecip.f [new file with mode: 0644]
mopac606_nbo/src/mnrsk3.key [new file with mode: 0644]
mopac606_nbo/src/moldat.f [new file with mode: 0644]
mopac606_nbo/src/molval.f [new file with mode: 0644]
mopac606_nbo/src/mopac.com [new file with mode: 0644]
mopac606_nbo/src/mopac.csh [new file with mode: 0644]
mopac606_nbo/src/mopac.f [new file with mode: 0644]
mopac606_nbo/src/mopac.hlp [new file with mode: 0644]
mopac606_nbo/src/mopac.man [new file with mode: 0644]
mopac606_nbo/src/mopac.opt [new file with mode: 0644]
mopac606_nbo/src/mopac606 [new file with mode: 0644]
mopac606_nbo/src/mopaccom.com [new file with mode: 0644]
mopac606_nbo/src/mopnbo.f [new file with mode: 0644]
mopac606_nbo/src/mopnbo.f.in [new file with mode: 0644]
mopac606_nbo/src/mullik.f [new file with mode: 0644]
mopac606_nbo/src/mult.f [new file with mode: 0644]
mopac606_nbo/src/nbread.f [new file with mode: 0644]
mopac606_nbo/src/nbwrit.f [new file with mode: 0644]
mopac606_nbo/src/nllsq.f [new file with mode: 0644]
mopac606_nbo/src/nuchar.f [new file with mode: 0644]
mopac606_nbo/src/oldgeo.dat [new file with mode: 0644]
mopac606_nbo/src/paras.dat [new file with mode: 0644]
mopac606_nbo/src/parsav.f [new file with mode: 0644]
mopac606_nbo/src/partxy.f [new file with mode: 0644]
mopac606_nbo/src/pathk.f [new file with mode: 0644]
mopac606_nbo/src/paths.f [new file with mode: 0644]
mopac606_nbo/src/perm.f [new file with mode: 0644]
mopac606_nbo/src/polar.f [new file with mode: 0644]
mopac606_nbo/src/powsav.f [new file with mode: 0644]
mopac606_nbo/src/powsq.f [new file with mode: 0644]
mopac606_nbo/src/prtdrc.f [new file with mode: 0644]
mopac606_nbo/src/quadr.f [new file with mode: 0644]
mopac606_nbo/src/react1.f [new file with mode: 0644]
mopac606_nbo/src/reada.f [new file with mode: 0644]
mopac606_nbo/src/readmo.f [new file with mode: 0644]
mopac606_nbo/src/readmo.f.bak [new file with mode: 0644]
mopac606_nbo/src/refer.f [new file with mode: 0644]
mopac606_nbo/src/repp.f [new file with mode: 0644]
mopac606_nbo/src/rmopac.com [new file with mode: 0644]
mopac606_nbo/src/rotat.f [new file with mode: 0644]
mopac606_nbo/src/rotate.f [new file with mode: 0644]
mopac606_nbo/src/rsp.f [new file with mode: 0644]
mopac606_nbo/src/search.f [new file with mode: 0644]
mopac606_nbo/src/second.f [new file with mode: 0644]
mopac606_nbo/src/second.for [new file with mode: 0644]
mopac606_nbo/src/setupg.f [new file with mode: 0644]
mopac606_nbo/src/shut.com [new file with mode: 0644]
mopac606_nbo/src/solrot.f [new file with mode: 0644]
mopac606_nbo/src/swap.f [new file with mode: 0644]
mopac606_nbo/src/symtry.f [new file with mode: 0644]
mopac606_nbo/src/test.com [new file with mode: 0644]
mopac606_nbo/src/testdata.dat [new file with mode: 0644]
mopac606_nbo/src/testmopac.com [new file with mode: 0644]
mopac606_nbo/src/thermo.f [new file with mode: 0644]
mopac606_nbo/src/timer.f [new file with mode: 0644]
mopac606_nbo/src/update.f [new file with mode: 0644]
mopac606_nbo/src/update.man [new file with mode: 0644]
mopac606_nbo/src/validation.mem [new file with mode: 0644]
mopac606_nbo/src/vecprt.f [new file with mode: 0644]
mopac606_nbo/src/writmo.f [new file with mode: 0644]
mopac606_nbo/src/wrtkey.f [new file with mode: 0644]
mopac606_nbo/src/wrttxt.f [new file with mode: 0644]
mopac606_nbo/src/xyzint.f [new file with mode: 0644]
mopac606_nbo/test/TEST06.DAT [new file with mode: 0644]
mopac606_nbo/test/test01.inp [new file with mode: 0644]
mopac606_nbo/test/test01.out [new file with mode: 0644]
mopac606_nbo/test/test02.inp [new file with mode: 0644]
mopac606_nbo/test/test02.out [new file with mode: 0644]
mopac606_nbo/test/test03.inp [new file with mode: 0644]
mopac606_nbo/test/test03.out [new file with mode: 0644]
mopac606_nbo/test/test04.inp [new file with mode: 0644]
mopac606_nbo/test/test04.out [new file with mode: 0644]
mopac606_nbo/test/test05.inp [new file with mode: 0644]
mopac606_nbo/test/test05.out [new file with mode: 0644]
mopac606_nbo/test/test06.inp [new file with mode: 0644]
mopac606_nbo/test/test06.out [new file with mode: 0644]
mopac606_nbo/test/test07.inp [new file with mode: 0644]
mopac606_nbo/test/test07.out [new file with mode: 0644]
mopac606_nbo/test/test08.inp [new file with mode: 0644]
mopac606_nbo/test/test08.out [new file with mode: 0644]
mopac606_nbo/test/test09.inp [new file with mode: 0644]
mopac606_nbo/test/test09.out [new file with mode: 0644]
mopac606_nbo/test/test10.inp [new file with mode: 0644]
mopac606_nbo/test/test10.out [new file with mode: 0644]
mopac606_nbo/test/test11.inp [new file with mode: 0644]
mopac606_nbo/test/test11.out [new file with mode: 0644]
xcode-build/Molby.xcodeproj/project.pbxproj