https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php?action=history&feed=atom&title=Program_flow 2026-05-14T00:05:56Z Revision history for this page on the wiki MediaWiki 1.39.7 https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php?title=Program_flow&diff=1179&oldid=prev 2019-05-10T17:20:04Z

<p>Created page with &quot;This page is intended to contain information about what the various files in GMIN do and what order they&#039;re called....&quot;</p> <p><b>New page</b></p><div>This page is intended to contain information about what the various files in GMIN do and what order they&#039;re called.<br /> <br /> * AMH <br /> * AT.f <br /> * Ackland_metals.f90 <br /> * Ackland_wrapper.f <br /> * Alglue.f <br /> * BLJcluster.f <br /> * BLN.f <br /> * CHARMMinterface <br /> * CHARMMinterface35 <br /> * CSMinit.f90 <br /> * DF1.f <br /> * EAMLJ_sub.f <br /> * EAMal.f <br /> * FS.f <br /> * Farkas.f <br /> * GMINdump.f90 <br /> * Gupta.f <br /> * JM.f <br /> * LB2.f <br /> * MB.f <br /> * MSorig.f <br /> * MSorigc.f <br /> * MStrans.97.f <br /> * Makefile <br /> * Mgglue.f <br /> * Natb.f <br /> * PachecoC60.f <br /> * Pbglue.f <br /> * Q4.f <br /> * SVNREV <br /> * SW.f <br /> * SiSW.f <br /> * VERSION <br /> * Zetterling.f <br /> * ackland_mendelev_fe.h <br /> * ackland_mishin_cu.h <br /> * ackland_sma.h <br /> * amber9dummy.f90 <br /> * amhdummy.f <br /> * asaoos.f90 <br /> * basinsampling.f90 <br /> * bipartite.f90 <br /> * blas.f <br /> * bmin.f <br /> * brent.f <br /> * bspt.F <br /> * bsptsave.F <br /> * bulkmindist.f90 <br /> * capsid.f <br /> * centre.f <br /> * centrecom.f <br /> * cgmin.f <br /> * chaperonin.f <br /> * charmmBildc.f <br /> * chdummy.f <br /> * checkd.f90 <br /> * commons.f90 <br /> * compress.f <br /> * compress2.f <br /> * convert.f <br /> * countatoms.f90 <br /> * dblpy.f90 <br /> * dbpg.f90 <br /> * dbptd.f90 <br /> * dbrent.f <br /> * ddfpmin.f <br /> * dftb.f <br /> * dfuncs.f90 <br /> * dgetf2.f <br /> * dgetrf.f <br /> * dgetri.f <br /> * diffs <br /> * dist.f90 <br /> * dlamch.f <br /> * dlaswp.f <br /> * dlnsrch.f <br /> * dlsode.f <br /> * dmblmorse.f90 <br /> * dprand.f <br /> * dtrti2.f <br /> * dtrtri.f <br /> * dummyoptim.f90 <br /> * dzugutov.f <br /> * eigsrt.f <br /> * enumerate.f90 <br /> * evstep.f <br /> * f1dim.f <br /> * fd.f <br /> * fdm.f <br /> * fedor.f <br /> * file_manager.f90 <br /> * finalio.f <br /> * finalq.f <br /> * frausi.f <br /> * fsc1TH.f90 <br /> * funcs.f90 <br /> * g46merdiff.f <br /> * ga_bln.f90 <br /> * ga_cluster.f90 <br /> * ga_main.f90 <br /> * ga_modules.f90 <br /> * ga_select.f90 <br /> * gauss.f <br /> * gay-berne.f90 <br /> * gbcalamitic.f90 <br /> * gbddp.f90 <br /> * gbdiscotic.f90 <br /> * gem.f90 <br /> * getorbits.f90 <br /> * grouprotation.f90 <br /> * hsmove.f <br /> * input.f <br /> * io.f90 <br /> * io1.f <br /> * io_sanity.f90 <br /> * keyword.f <br /> * lapack.f <br /> * lbfgs.f <br /> * linmin.f <br /> * linrod.f90 <br /> * lj.f <br /> * ljcoulomb.f <br /> * ljpbin.f <br /> * ljpshift.f <br /> * lwotp.f90 <br /> * main.f <br /> * main.F <br /> * mc.f <br /> * mc.F <br /> * mc.f.mpi <br /> * mcruns.f <br /> * mek-quake.f90 <br /> * mf.f <br /> * mind.f <br /> * minperm.f <br /> * minpermdist.f90 <br /> * mnbrak.f <br /> * modamb.f90 <br /> * modamber9.f90 <br /> * modcharmm.f90 <br /> * modconsts.f90 <br /> * modconsts_trans_97.f90 <br /> * model1.f90 <br /> * modf1com.f90 <br /> * modhess.f90 <br /> * modmxatms.f90 <br /> * mododesd.f90 <br /> * modperm.f90 <br /> * molinfo.f90 <br /> * morse.f <br /> * msgayberne.f90 <br /> * mstbin.f90 <br /> * multisitepy.f90 <br /> * multpaha.f90 <br /> * multstock.f90 <br /> * myblas.f <br /> * mycpu_time.f90 <br /> * mylapack.f <br /> * mylbfgs.f <br /> * mysd.f <br /> * newcapsid.f90 <br /> * newinertia.f <br /> * newmindist.f90 <br /> * newpah.f90 <br /> * newtip.f90 <br /> * nonATLASblas.f <br /> * odesd.f <br /> * olami.f <br /> * operations.f90 <br /> * orient.f <br /> * ortho.f <br /> * otp.f <br /> * output.f90 <br /> * p46merdiff.f <br /> * pah.f <br /> * paha.f90 <br /> * pahw99.f90 <br /> * pap.f90 <br /> * patchy.f90 <br /> * perc.f90 <br /> * porfuncs.csh <br /> * potential.f <br /> * projI.f90 <br /> * projIh.f90 <br /> * ptbs.f <br /> * ptgrp.f <br /> * ptmc.F <br /> * pyg.f90 <br /> * pygdp.f90 <br /> * qdtest.f <br /> * qdtest2.f <br /> * qmod.f90 <br /> * qorderparam_blj.f90 <br /> * qorderparam_lj.f90 <br /> * quad.f <br /> * quench.f <br /> * rad.f <br /> * rdpot.f <br /> * read_cmd_args.f90 <br /> * reorient.f90 <br /> * reseed.f <br /> * rigidbaa.f90 <br /> * rigidfuncs.f <br /> * rk45ad.f <br /> * saveit.f <br /> * sc.f<br /> * seed.f<br /> * shell<br /> * silane.f90<br /> * sort.f<br /> * sort2.f<br /> * sort3.f<br /> * sort4.f<br /> * sticky.f<br /> * stock.f<br /> * stockaa.f90<br /> * strand.f<br /> * supermc.f<br /> * symmetry.f90<br /> * symmetry2.f90<br /> * symmetry3.f90<br /> * symmetrycsm.f90<br /> * taboo.f<br /> * takestep.f<br /> * takestep2.f<br /> * takestepmsgb.f90<br /> * takestepmspy.f90<br /> * test.f<br /> * tether.f90<br /> * tetherfunc.f90<br /> * tetherfuncall.f90<br /> * tetrahedra.f90<br /> * thomson.f<br /> * tip.f<br /> * tn.f<br /> * topology.f90<br /> * tosifumi.f<br /> * trans.f<br /> * transforms.f90<br /> * vgw.f90<br /> * waterpdc.f90<br /> * waterpkz.f90<br /> * welch.f<br /> * wenzel.1D.f<br /> * wenzel.2D.f<br /> * wenzel.f<br /> * wham_djw.f90<br /> * zwischen.f<br /> <br /> Back to [[GMIN]]</div>

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