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