Index of /tinker/distribution/source

      Name                    Last modified      Size  Description
Parent Directory - hescut.f 2025-12-05 22:12 730 inter.f 2025-12-05 22:12 739 ctrpot.f 2025-12-05 22:12 746 kchrge.f 2025-12-05 22:12 750 kanang.f 2025-12-05 22:12 773 iounit.f 2025-12-05 22:12 798 gkstuf.f 2025-12-05 22:12 810 bitor.f 2025-12-05 22:12 817 titles.f 2025-12-05 22:12 819 chrono.f 2025-12-05 22:12 822 kextra.f 2025-12-05 22:12 829 keys.f 2025-12-05 22:12 834 tritor.f 2025-12-05 22:12 834 virial.f 2025-12-05 22:12 839 extfld.f 2025-12-05 22:12 843 params.f 2025-12-05 22:12 845 tettor.f 2025-12-05 22:12 848 tortor.f 2025-12-05 22:12 848 solpot.f 2025-12-05 22:12 849 erxnfld2.f 2025-12-05 22:12 852 fields.f 2025-12-05 22:12 858 scales.f 2025-12-05 22:12 859 kmetal.f 2025-12-05 22:12 862 emetal2.f 2025-12-05 22:12 876 openmp.f 2025-12-05 22:12 880 rxnfld.f 2025-12-05 22:12 887 kdsp.f 2025-12-05 22:12 897 urypot.f 2025-12-05 22:12 897 kctrn.f 2025-12-05 22:12 898 angang.f 2025-12-05 22:12 915 kcpen.f 2025-12-05 22:12 917 strbnd.f 2025-12-05 22:12 919 extra.f 2025-12-05 22:12 922 rxnpot.f 2025-12-05 22:12 933 rotbnd.f 2025-12-05 22:12 939 kstbnd.f 2025-12-05 22:12 940 usage.f 2025-12-05 22:12 940 orbits.f 2025-12-05 22:12 944 stodyn.f 2025-12-05 22:12 948 opdist.f 2025-12-05 22:12 951 strtor.f 2025-12-05 22:12 953 pitors.f 2025-12-05 22:12 958 align.f 2025-12-05 22:12 961 opbend.f 2025-12-05 22:12 961 ksttor.f 2025-12-05 22:12 964 atmlst.f 2025-12-05 22:12 966 angtor.f 2025-12-05 22:12 967 kopbnd.f 2025-12-05 22:12 970 fracs.f 2025-12-05 22:12 971 kopdst.f 2025-12-05 22:12 1.0K kpitor.f 2025-12-05 22:12 1.0K hessn.f 2025-12-05 22:12 1.0K kantor.f 2025-12-05 22:12 1.0K bndpot.f 2025-12-05 22:12 1.0K vibs.f 2025-12-05 22:12 1.0K zclose.f 2025-12-05 22:12 1.0K chgtrn.f 2025-12-05 22:12 1.0K tarray.f 2025-12-05 22:12 1.0K minima.f 2025-12-05 22:12 1.0K krepl.f 2025-12-05 22:12 1.0K dipole.f 2025-12-05 22:12 1.0K zcoord.f 2025-12-05 22:12 1.0K tree.f 2025-12-05 22:12 1.0K argue.f 2025-12-05 22:12 1.0K readcart.f 2025-12-05 22:12 1.0K bndstr.f 2025-12-05 22:12 1.0K urey.f 2025-12-05 22:12 1.0K reppot.f 2025-12-05 22:12 1.0K omega.f 2025-12-05 22:12 1.0K khbond.f 2025-12-05 22:12 1.0K kpolpr.f 2025-12-05 22:12 1.0K ksolut.f 2025-12-05 22:12 1.0K kurybr.f 2025-12-05 22:12 1.0K kpolr.f 2025-12-05 22:12 1.0K extra2.f 2025-12-05 22:12 1.0K kmulti.f 2025-12-05 22:12 1.0K atoms.f 2025-12-05 22:12 1.0K files.f 2025-12-05 22:12 1.0K kiprop.f 2025-12-05 22:12 1.1K improp.f 2025-12-05 22:12 1.1K kvdwpr.f 2025-12-05 22:12 1.1K fatal.f 2025-12-05 22:12 1.1K erxnfld1.f 2025-12-05 22:12 1.1K ewald.f 2025-12-05 22:12 1.1K polpcg.f 2025-12-05 22:12 1.1K angbnd.f 2025-12-05 22:12 1.1K ptable.f 2025-12-05 22:12 1.1K kexpl.f 2025-12-05 22:12 1.1K syntrn.f 2025-12-05 22:12 1.1K dsppot.f 2025-12-05 22:12 1.1K disp.f 2025-12-05 22:12 1.1K rigid.f 2025-12-05 22:12 1.1K extra3.f 2025-12-05 22:12 1.1K bound.f 2025-12-05 22:12 1.1K mplpot.f 2025-12-05 22:12 1.1K cflux.f 2025-12-05 22:12 1.1K moldyn.f 2025-12-05 22:12 1.1K linmin.f 2025-12-05 22:12 1.2K kitors.f 2025-12-05 22:12 1.2K kvdws.f 2025-12-05 22:12 1.2K imptor.f 2025-12-05 22:12 1.2K mdstuf.f 2025-12-05 22:12 1.2K chgpen.f 2025-12-05 22:12 1.2K nexttext.f 2025-12-05 22:12 1.2K pistuf.f 2025-12-05 22:12 1.2K alfmol.f 2025-12-05 22:12 1.2K torpot.f 2025-12-05 22:12 1.2K phipsi.f 2025-12-05 22:12 1.2K charge.f 2025-12-05 22:12 1.2K makexyz.f 2025-12-05 22:12 1.2K fft.f 2025-12-05 22:12 1.2K socket.f 2025-12-05 22:12 1.2K molcul.f 2025-12-05 22:12 1.2K katoms.f 2025-12-05 22:12 1.2K emetal3.f 2025-12-05 22:12 1.3K 0README 2025-08-04 11:39 1.3K extra1.f 2025-12-05 22:12 1.3K disgeo.f 2025-12-05 22:12 1.3K nucleo.f 2025-12-05 22:12 1.3K prterr.f 2025-12-05 22:12 1.3K valfit.f 2025-12-05 22:12 1.3K molxyz.f 2025-12-05 22:12 1.3K cell.f 2025-12-05 22:12 1.3K mol2xyz.f 2025-12-05 22:12 1.3K rmsfit.f 2025-12-05 22:12 1.3K kcflux.f 2025-12-05 22:12 1.3K paths.f 2025-12-05 22:12 1.3K atomid.f 2025-12-05 22:12 1.3K nextarg.f 2025-12-05 22:12 1.4K sigmoid.f 2025-12-05 22:12 1.4K intxyz.f 2025-12-05 22:12 1.4K sequen.f 2025-12-05 22:12 1.4K gyrate.f 2025-12-05 22:12 1.4K poltcg.f 2025-12-05 22:12 1.4K expol.f 2025-12-05 22:12 1.4K couple.f 2025-12-05 22:12 1.4K qmstuf.f 2025-12-05 22:12 1.4K tors.f 2025-12-05 22:12 1.4K openend.f 2025-12-05 22:12 1.4K freeunit.f 2025-12-05 22:12 1.4K chunks.f 2025-12-05 22:12 1.5K chgpot.f 2025-12-05 22:12 1.5K promo.f 2025-12-05 22:12 1.5K repel.f 2025-12-05 22:12 1.5K group.f 2025-12-05 22:12 1.5K dma.f 2025-12-05 22:12 1.5K mrecip.f 2025-12-05 22:12 1.5K warp.f 2025-12-05 22:12 1.5K rgddyn.f 2025-12-05 22:12 1.5K inform.f 2025-12-05 22:12 1.5K ring.f 2025-12-05 22:12 1.5K orthog.f 2025-12-05 22:12 1.5K calendar.f 2025-12-05 22:12 1.5K xtals.f 2025-12-05 22:12 1.5K torphase.f 2025-12-05 22:12 1.6K xyzmol2.f 2025-12-05 22:12 1.6K getfloat.f 2025-12-05 22:12 1.6K sizes.f 2025-12-05 22:12 1.6K output.f 2025-12-05 22:12 1.6K ielscf.f 2025-12-05 22:12 1.7K merge.f 2025-12-05 22:12 1.7K getref.f 2025-12-05 22:12 1.7K command.f 2025-12-05 22:12 1.7K getmol.f 2025-12-05 22:12 1.8K moment.f 2025-12-05 22:12 1.8K polopt.f 2025-12-05 22:12 1.8K getmol2.f 2025-12-05 22:12 1.8K mpole.f 2025-12-05 22:12 1.8K maxwell.f 2025-12-05 22:12 1.9K polgrp.f 2025-12-05 22:12 1.9K connect.f 2025-12-05 22:12 1.9K math.f 2025-12-05 22:12 1.9K chkxyz.f 2025-12-05 22:12 1.9K prtseq.f 2025-12-05 22:12 1.9K insert.f 2025-12-05 22:12 1.9K delete.f 2025-12-05 22:12 1.9K shunt.f 2025-12-05 22:12 1.9K bonds.f 2025-12-05 22:12 1.9K optinit.f 2025-12-05 22:12 1.9K ktrtor.f 2025-12-05 22:12 1.9K mutant.f 2025-12-05 22:12 2.0K suffix.f 2025-12-05 22:12 2.0K numgrad.f 2025-12-05 22:12 2.0K piorbs.f 2025-12-05 22:12 2.0K column.f 2025-12-05 22:12 2.0K light.f 2025-12-05 22:12 2.0K hessrgd.f 2025-12-05 22:12 2.0K clock.f 2025-12-05 22:12 2.1K uprior.f 2025-12-05 22:12 2.1K freeze.f 2025-12-07 22:20 2.1K kdipol.f 2025-12-05 22:12 2.1K torsions.f 2025-12-05 22:12 2.1K korbs.f 2025-12-05 22:12 2.1K center.f 2025-12-05 22:12 2.1K getxyz.f 2025-12-05 22:12 2.1K angpot.f 2025-12-05 22:12 2.1K vdw.f 2025-12-05 22:12 2.2K vdwpot.f 2025-12-05 22:12 2.3K bitors.f 2025-12-05 22:12 2.3K eurey.f 2025-12-05 22:12 2.4K refer.f 2025-12-05 22:12 2.4K makeref.f 2025-12-05 22:12 2.4K getint.f 2025-12-05 22:12 2.4K bath.f 2025-12-05 22:12 2.4K basefile.f 2025-12-05 22:12 2.4K nspline.f 2025-12-05 22:12 2.5K hpmf.f 2025-12-05 22:12 2.5K kbonds.f 2025-12-05 22:12 2.5K gettext.f 2025-12-05 22:12 2.5K nonpol.f 2025-12-05 22:12 2.5K chksymm.f 2025-12-05 22:12 2.5K energi.f 2025-12-05 22:12 2.5K tritors.f 2025-12-05 22:12 2.5K angles.f 2025-12-05 22:12 2.6K xyzint.f 2025-12-05 22:12 2.6K pme.f 2025-12-05 22:12 2.6K number.f 2025-12-05 22:12 2.6K action.f 2025-12-05 22:12 2.6K polar.f 2025-12-05 22:12 2.6K hessrot.f 2025-12-05 22:12 2.7K pdb.f 2025-12-05 22:12 2.7K limits.f 2025-12-05 22:12 2.8K tettors.f 2025-12-05 22:12 2.8K geometry.f 2025-12-05 22:12 2.8K vibrot.f 2025-12-05 22:12 2.8K boxes.f 2025-12-05 22:12 2.9K ebond.f 2025-12-05 22:12 2.9K control.f 2025-12-05 22:12 2.9K getword.f 2025-12-05 22:12 2.9K impose.f 2025-12-05 22:12 3.0K kangs.f 2025-12-05 22:12 3.0K cholesky.f 2025-12-05 22:12 3.0K ktorsn.f 2025-12-05 22:12 3.0K chkpole.f 2025-12-05 22:12 3.0K shapes.f 2025-12-05 22:12 3.1K polpot.f 2025-12-05 22:12 3.2K mechanic.f 2025-12-05 22:12 3.2K readmol.f 2025-12-05 22:12 3.2K invert.f 2025-12-05 22:12 3.2K getdcd.f 2025-12-05 22:12 3.2K gradrgd.f 2025-12-05 22:12 3.2K domega.f 2025-12-05 22:12 3.2K grpline.f 2025-12-05 22:12 3.3K restrn.f 2025-12-05 22:12 3.3K eurey2.f 2025-12-05 22:12 3.3K field.f 2025-12-05 22:12 3.3K potent.f 2025-12-05 22:12 3.4K version.f 2025-12-05 22:12 3.4K analyz.f 2025-12-05 22:12 3.4K prtint.f 2025-12-05 22:12 3.4K deriv.f 2025-12-05 22:12 3.5K eopdist.f 2025-12-05 22:12 3.5K estrbnd.f 2025-12-05 22:12 3.5K quatfit.f 2025-12-05 22:12 3.6K polymer.f 2025-12-05 22:12 3.6K kangang.f 2025-12-05 22:12 3.6K molecule.f 2025-12-05 22:12 3.7K deflate.f 2025-12-05 22:12 3.7K solute.f 2025-12-05 22:12 3.7K getarc.f 2025-12-05 22:12 3.7K getcart.f 2025-12-05 22:12 3.8K bounds.f 2025-12-05 22:12 3.8K lusolve.f 2025-12-05 22:12 3.8K eurey3.f 2025-12-05 22:12 3.8K eurey1.f 2025-12-05 22:12 3.9K energy.f 2025-12-05 22:12 3.9K getstring.f 2025-12-05 22:12 3.9K flatten.f 2025-12-05 22:12 4.0K neigh.f 2025-12-05 22:12 4.0K getnumb.f 2025-12-05 22:12 4.0K ascii.f 2025-12-05 22:12 4.1K attach.f 2025-12-05 22:12 4.1K ebond2.f 2025-12-05 22:12 4.1K getpdb.f 2025-12-05 22:12 4.1K readseq.f 2025-12-05 22:12 4.1K units.f 2025-12-05 22:12 4.1K groups.f 2025-12-05 22:12 4.1K pbstuf.f 2025-12-05 22:12 4.1K prtdyn.f 2025-12-05 22:12 4.2K eangang.f 2025-12-05 22:12 4.2K spectrum.f 2025-12-05 22:12 4.2K pmpb.f 2025-12-05 22:12 4.2K ebond3.f 2025-12-05 22:12 4.3K erxnfld3.f 2025-12-05 22:12 4.3K verlet.f 2025-12-08 14:37 4.3K replica.f 2025-12-05 22:12 4.3K eimprop.f 2025-12-05 22:12 4.4K unitcell.f 2025-12-05 22:12 4.4K readdcd.f 2025-12-05 22:12 4.5K ebond1.f 2025-12-05 22:12 4.5K switch.f 2025-12-05 22:12 4.6K potfit.f 2025-12-05 22:12 4.6K eimptor.f 2025-12-05 22:12 4.6K kpitors.f 2025-12-05 22:12 4.7K readint.f 2025-12-05 22:12 4.7K zatom.f 2025-12-05 22:12 4.8K eopbend.f 2025-12-05 22:12 4.8K readmol2.f 2025-12-05 22:12 4.8K readdyn.f 2025-12-05 22:12 4.8K getkey.f 2025-12-27 01:24 4.8K kdisp.f 2025-12-05 22:12 4.9K jacobi.f 2025-12-05 22:12 4.9K resdue.f 2025-12-05 22:12 4.9K lattice.f 2025-12-05 22:12 4.9K estrbnd3.f 2025-12-05 22:12 4.9K eopdist3.f 2025-12-05 22:12 5.0K rotlist.f 2025-12-05 22:12 5.0K initial.f 2025-12-05 22:12 5.0K kexpol.f 2025-12-05 22:12 5.0K inertia.f 2025-12-05 22:12 5.1K timerot.f 2025-12-05 22:12 5.1K beeman.f 2025-12-05 22:12 5.2K epitors.f 2025-12-05 22:12 5.4K dcflux.f 2025-12-05 22:12 5.4K krepel.f 2025-12-05 22:12 5.4K emetal.f 2025-12-05 22:12 5.5K timer.f 2025-12-05 22:12 5.5K faces.f 2025-12-05 22:12 5.6K trimtext.f 2025-12-05 22:12 5.6K eangtor.f 2025-12-05 22:12 5.6K kchgtrn.f 2025-12-05 22:12 5.6K eangang3.f 2025-12-05 22:12 5.6K estrtor.f 2025-12-05 22:12 5.7K eimprop3.f 2025-12-05 22:12 5.8K xyzatm.f 2025-12-05 22:12 5.9K kinetic.f 2025-12-05 22:12 5.9K kurey.f 2025-12-05 22:12 6.0K prtpdb.f 2025-12-05 22:12 6.1K echgdpl.f 2025-12-05 22:12 6.1K spacefill.f 2025-12-05 22:12 6.2K eopbend3.f 2025-12-05 22:12 6.2K eimptor3.f 2025-12-05 22:12 6.3K eopdist1.f 2025-12-05 22:12 6.3K numeral.f 2025-12-05 22:12 6.4K predict.f 2025-12-05 22:12 6.6K minirot.f 2025-12-05 22:12 6.7K eangle.f 2025-12-05 22:12 6.7K optirot.f 2025-12-05 22:12 6.7K alterchg.f 2025-12-05 22:12 6.7K minrigid.f 2025-12-05 22:12 6.7K optrigid.f 2025-12-05 22:12 6.7K edipole.f 2025-12-05 22:12 6.7K prtxyz.f 2025-12-05 22:12 6.9K active.f 2025-12-05 22:12 6.9K prtvel.f 2025-12-05 22:12 6.9K prtfrc.f 2025-12-05 22:12 6.9K estrbnd1.f 2025-12-05 22:12 6.9K getprm.f 2025-12-29 20:16 7.0K invbeta.f 2025-12-05 22:12 7.1K epitors3.f 2025-12-05 22:12 7.1K chkring.f 2025-12-05 22:12 7.2K eangtor3.f 2025-12-05 22:12 7.2K analysis.f 2025-12-05 22:12 7.3K kangtor.f 2025-12-05 22:12 7.4K estrtor3.f 2025-12-05 22:12 7.4K fft3d.f 2025-12-05 22:12 7.4K kchgflx.f 2025-12-05 22:12 7.5K cspline.f 2025-12-05 22:12 7.5K hessian.f 2025-12-05 22:12 7.5K eimprop1.f 2025-12-05 22:12 7.8K eangang1.f 2025-12-05 22:12 7.8K prtuind.f 2025-12-05 22:12 7.9K testvir.f 2025-12-05 22:12 7.9K prtarc.f 2025-12-05 22:12 7.9K readmbis.f 2025-12-05 22:12 8.0K cluster.f 2025-12-05 22:12 8.0K nose.f 2025-12-05 22:12 8.0K initatom.f 2025-12-05 22:12 8.0K gradient.f 2025-12-13 21:49 8.1K mdavg.f 2025-12-05 22:12 8.1K testsurf.f 2025-12-05 22:12 8.2K eimptor1.f 2025-12-05 22:12 8.2K ghmcstep.f 2025-12-05 22:12 8.3K etortor3.f 2025-12-05 22:12 8.3K neck.f 2025-12-05 22:12 8.4K bicubic.f 2025-12-05 22:12 8.4K minimize.f 2025-12-05 22:12 8.4K optimize.f 2025-12-05 22:12 8.4K kopdist.f 2025-12-05 22:12 8.5K katom.f 2025-12-05 22:12 8.6K gradrot.f 2025-12-05 22:12 8.6K prtcif.f 2025-12-05 22:12 8.7K readxyz.f 2025-12-05 22:12 8.7K shake.f 2025-12-13 13:57 8.8K surface.f 2025-12-05 22:12 9.0K erf.f 2025-12-05 22:12 9.1K random.f 2025-12-05 22:12 9.1K echgdpl3.f 2025-12-05 22:12 9.2K kstrtor.f 2025-12-05 22:12 9.2K moments.f 2025-12-05 22:12 9.2K eopbend1.f 2025-12-05 22:12 9.3K etortor.f 2025-12-05 22:12 9.4K optsave.f 2025-12-05 22:12 9.4K eangle3.f 2025-12-05 22:12 9.4K merck.f 2025-12-05 22:12 9.6K sktstuf.f 2025-12-05 22:12 9.7K server.f 2025-12-05 22:12 9.7K newtrot.f 2025-12-05 22:12 9.7K qrsolve.f 2025-12-05 22:12 9.7K anneal.f 2025-12-05 22:12 9.8K korbit.f 2025-12-05 22:12 9.9K search.f 2025-12-05 22:12 9.9K simplex.f 2025-12-05 22:12 10K vibrate.f 2025-12-05 22:12 10K edipole3.f 2025-12-05 22:12 10K epitors1.f 2025-12-05 22:12 10K initrot.f 2025-12-05 22:12 10K dynamic.f 2025-12-05 22:12 10K image.f 2025-12-05 22:12 11K ktortor.f 2025-12-05 22:12 11K critical.f 2025-12-05 22:12 11K mdstat.f 2025-12-05 22:12 11K diffuse.f 2025-12-05 22:12 11K evcorr.f 2025-12-05 22:12 11K newton.f 2025-12-05 22:12 11K volume.f 2025-12-05 22:12 11K mdsave.f 2025-12-05 22:12 11K exfield.f 2025-12-05 22:12 11K diagq.f 2025-12-05 22:12 11K eangang2.f 2025-12-05 22:12 11K findseq.f 2025-12-05 22:12 11K rattle.f 2025-12-13 13:57 11K orbital.f 2025-12-05 22:12 11K readgau.f 2025-12-05 22:12 11K kimprop.f 2025-12-05 22:12 11K eopbend2.f 2025-12-05 22:12 11K kcharge.f 2025-12-05 22:12 11K radial.f 2025-12-05 22:12 11K initres.f 2025-12-05 22:12 11K cutoffs.f 2025-12-05 22:12 12K path.f 2025-12-05 22:12 12K kdipole.f 2025-12-05 22:12 12K lights.f 2025-12-05 22:12 12K sdstep.f 2025-12-05 22:12 12K kewald.f 2025-12-05 22:12 12K makeint.f 2025-12-05 22:12 12K orient.f 2025-12-05 22:12 12K gda.f 2025-12-05 22:12 12K eangtor1.f 2025-12-05 22:12 12K emetal1.f 2025-12-05 22:12 12K temper.f 2025-12-05 22:12 12K baoab.f 2025-12-05 22:12 12K epitors2.f 2025-12-05 22:12 12K intedit.f 2025-12-05 22:12 12K rotpole.f 2025-12-05 22:12 12K lbfgs.f 2025-12-05 22:12 13K rgdstep.f 2025-12-05 22:12 13K mutate.f 2025-12-05 22:12 13K overlap.f 2025-12-05 22:12 13K sniffer.f 2025-12-05 22:12 13K etors.f 2025-12-05 22:12 13K readgdma.f 2025-12-05 22:12 13K kopbend.f 2025-12-05 22:12 13K echgdpl1.f 2025-12-05 22:12 13K torque.f 2025-12-05 22:12 13K echgtrn2.f 2025-12-05 22:12 13K estrtor1.f 2025-12-05 22:12 13K etortor1.f 2025-12-05 22:12 13K correlate.f 2025-12-05 22:12 13K eangle1.f 2025-12-05 22:12 14K egeom.f 2025-12-05 22:12 14K freefix.f 2025-12-05 22:12 14K polarize.f 2025-12-05 22:12 14K diffeq.f 2025-12-05 22:12 14K testrot.f 2025-12-05 22:12 14K server.c 2021-04-23 08:25 15K kgeom.f 2025-12-05 22:12 15K mdrest.f 2025-12-08 14:20 15K findnuc.f 2025-12-05 22:12 15K pssrot.f 2025-12-05 22:12 16K alchemy.f 2025-12-05 22:12 16K etors3.f 2025-12-05 22:12 16K eopdist2.f 2025-12-05 22:12 16K esolv2.f 2025-12-05 22:12 16K edisp2.f 2025-12-05 22:12 16K mdinit.f 2025-12-13 16:04 16K document.f 2025-12-05 22:12 17K mdinit.new 2025-12-01 11:08 17K alterpol.f 2025-12-05 22:12 17K superpose.f 2025-12-05 22:12 17K edipole1.f 2025-12-05 22:12 17K testhess.f 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