BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/gmxana/gmx

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Teemu Murtola <teemu.murtola@gmail.com>
	Fri, 18 Sep 2015 10:08:42 +0000 (13:08 +0300)
committer	Gerrit Code Review <gerrit@gerrit.gromacs.org>
	Fri, 18 Sep 2015 19:17:37 +0000 (21:17 +0200)
commit	2b249c9196332a2129ea26c192452c508fb76b13
tree	57845926f5dd59e731a6463a83114658314500ee	tree \| snapshot
parent	72af942fc55653d2de33ab378a1608500cef153b	commit \| diff

Move asize() from macros.h and reduce use of macros.h

Now only a few C files rely on macros.h for min/max definition.
asize() is in a separate header in utility/.
Remove a lot of unnecessary inclusions of the header.

Make math/ independent of legacyheaders/. To avoid further cyclic
dependencies, remove use of atom_id from do_fit.*.

Change-Id: Ia4e11dfd99e1ae35cc2e5fecea37e978aadfd05d

197 files changed:

docs/doxygen/cycle-suppressions.txt		diff \| blob \| history
src/gromacs/correlationfunctions/autocorr.cpp		diff \| blob \| history
src/gromacs/correlationfunctions/crosscorr.cpp		diff \| blob \| history
src/gromacs/correlationfunctions/expfit.cpp		diff \| blob \| history
src/gromacs/correlationfunctions/manyautocorrelation.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_constraints.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_specatomcomm.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_vsite.cpp		diff \| blob \| history
src/gromacs/ewald/long-range-correction.cpp		diff \| blob \| history
src/gromacs/fileio/enxio.cpp		diff \| blob \| history
src/gromacs/fileio/filenm.cpp		diff \| blob \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| history
src/gromacs/gmxana/anadih.cpp		diff \| blob \| history
src/gromacs/gmxana/cmat.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_anadock.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_anaeig.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_analyze.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_angle.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_bar.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_bundle.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_chi.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_cluster.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_clustsize.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_confrms.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_covar.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_current.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_density.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_densmap.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_densorder.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_dielectric.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_dipoles.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_disre.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_do_dssp.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_dos.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_dyecoupl.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_dyndom.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_editconf.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_eneconv.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_enemat.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_energy.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_filter.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_genion.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_genpr.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_gyrate.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_h2order.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_hbond.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_helix.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_helixorient.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_hydorder.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_lie.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_make_edi.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_make_ndx.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_mdmat.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_mindist.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_mk_angndx.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_morph.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_msd.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_nmeig.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_nmens.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_nmtraj.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_order.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_pme_error.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_polystat.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_potential.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_principal.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rama.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rms.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rmsdist.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rmsf.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rotacf.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rotmat.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_saltbr.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_sans.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_saxs.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_sham.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_sigeps.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_sorient.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_spatial.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_spol.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_tcaf.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_traj.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_trjcat.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_trjconv.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_trjorder.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_tune_pme.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_vanhove.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_velacc.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_wham.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_wheel.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_xpm2ps.cpp		diff \| blob \| history
src/gromacs/gmxana/hxprops.cpp		diff \| blob \| history
src/gromacs/gmxana/pp2shift.cpp		diff \| blob \| history
src/gromacs/gmxana/sfactor.cpp		diff \| blob \| history
src/gromacs/gmxlib/conformation-utilities.cpp		diff \| blob \| history
src/gromacs/gmxlib/copyrite.cpp		diff \| blob \| history
src/gromacs/gmxlib/disre.cpp		diff \| blob \| history
src/gromacs/gmxlib/gmx_omp_nthreads.cpp		diff \| blob \| history
src/gromacs/gmxlib/inputrec.cpp		diff \| blob \| history
src/gromacs/gmxlib/main.cpp		diff \| blob \| history
src/gromacs/gmxlib/network.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nonbonded.c		diff \| blob \| history
src/gromacs/gmxlib/nrnb.cpp		diff \| blob \| history
src/gromacs/gmxlib/readinp.cpp		diff \| blob \| history
src/gromacs/gmxlib/splitter.cpp		diff \| blob \| history
src/gromacs/gmxlib/txtdump.cpp		diff \| blob \| history
src/gromacs/gmxlib/typedefs.cpp		diff \| blob \| history
src/gromacs/gmxlib/viewit.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/add_par.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/calch.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gen_ad.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/genconf.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gmxcpp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gpp_bond_atomtype.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/h_db.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/hizzie.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/nm2type.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/pdb2gmx.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/pdb2top.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readpull.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/resall.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/solvate.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/specbond.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/topdirs.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/topio.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/toppush.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/toputil.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/vsite_parm.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/x2top.cpp		diff \| blob \| history
src/gromacs/legacyheaders/macros.h		diff \| blob \| history
src/gromacs/math/do_fit.c		diff \| blob \| history
src/gromacs/math/do_fit.h		diff \| blob \| history
src/gromacs/mdlib/calcvir.cpp		diff \| blob \| history
src/gromacs/mdlib/constr.cpp		diff \| blob \| history
src/gromacs/mdlib/coupling.cpp		diff \| blob \| history
src/gromacs/mdlib/expanded.cpp		diff \| blob \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/md_support.cpp		diff \| blob \| history
src/gromacs/mdlib/mdebin.cpp		diff \| blob \| history
src/gromacs/mdlib/minimize.cpp		diff \| blob \| history
src/gromacs/mdlib/ns.cpp		diff \| blob \| history
src/gromacs/mdlib/nsgrid.cpp		diff \| blob \| history
src/gromacs/mdlib/qm_gamess.cpp		diff \| blob \| history
src/gromacs/mdlib/qm_gaussian.cpp		diff \| blob \| history
src/gromacs/mdlib/qm_mopac.cpp		diff \| blob \| history
src/gromacs/mdlib/qm_orca.cpp		diff \| blob \| history
src/gromacs/mdlib/qmmm.cpp		diff \| blob \| history
src/gromacs/mdlib/shellfc.cpp		diff \| blob \| history
src/gromacs/mdlib/tgroup.cpp		diff \| blob \| history
src/gromacs/mdlib/tpi.cpp		diff \| blob \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| history
src/gromacs/mdlib/vcm.cpp		diff \| blob \| history
src/gromacs/mdlib/vsite.cpp		diff \| blob \| history
src/gromacs/mdlib/wall.cpp		diff \| blob \| history
src/gromacs/mdlib/wnblist.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.cpp		diff \| blob \| history
src/gromacs/pulling/pull.cpp		diff \| blob \| history
src/gromacs/pulling/pull_rotation.cpp		diff \| blob \| history
src/gromacs/pulling/pullutil.cpp		diff \| blob \| history
src/gromacs/selection/selmethod.cpp		diff \| blob \| history
src/gromacs/selection/sm_compare.cpp		diff \| blob \| history
src/gromacs/selection/sm_distance.cpp		diff \| blob \| history
src/gromacs/selection/sm_insolidangle.cpp		diff \| blob \| history
src/gromacs/selection/sm_keywords.cpp		diff \| blob \| history
src/gromacs/selection/sm_merge.cpp		diff \| blob \| history
src/gromacs/selection/sm_permute.cpp		diff \| blob \| history
src/gromacs/selection/sm_position.cpp		diff \| blob \| history
src/gromacs/selection/sm_same.cpp		diff \| blob \| history
src/gromacs/selection/sm_simple.cpp		diff \| blob \| history
src/gromacs/selection/symrec.cpp		diff \| blob \| history
src/gromacs/swap/swapcoords.cpp		diff \| blob \| history
src/gromacs/tools/check.cpp		diff \| blob \| history
src/gromacs/tools/compare.cpp		diff \| blob \| history
src/gromacs/tools/convert_tpr.cpp		diff \| blob \| history
src/gromacs/tools/dump.cpp		diff \| blob \| history
src/gromacs/topology/index.cpp		diff \| blob \| history
src/gromacs/trajectoryanalysis/modules/surfacearea.cpp		diff \| blob \| history
src/gromacs/utility/CMakeLists.txt		diff \| blob \| history
src/gromacs/utility/arraysize.h	[new file with mode: 0644]	blob
src/programs/mdrun/mdrun.cpp		diff \| blob \| history
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