BioD PNPI Git Repos - alexxy/gromacs.git/commit

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

author	David van der Spoel <spoel@xray.bmc.uu.se>
	Wed, 11 Nov 2015 21:13:22 +0000 (22:13 +0100)
committer	David van der Spoel <spoel@xray.bmc.uu.se>
	Fri, 20 Nov 2015 14:44:43 +0000 (15:44 +0100)
commit	f75bc658cf46c11638958e965178814914b74c95
tree	19e7bbf67f51989aab878ec0f542a83d6a3a438a	tree \| snapshot
parent	093190dac5bd2f2353785b6a0a959c2f5ea65eda	commit \| diff

Combine enums.h and names*.

Combined enums.h and names* to mdtypes/md_enums.cpp/h.
Added doxygen comments to md_enums.h
Removed macros in inputrec.h to reduce cyclic dependencies.

Clean up of legacyheaders. By removing some unnecessary includes
from the files names.h and enums.h (now md_enums.h)
a lot of 'freeriders' showed up, therefore had to include
topology.h in many files.

Part of #1415

Change-Id: I12b8ef4f82b7aec806aea2eee7d77604e86dc576

133 files changed:

docs/doxygen/cycle-suppressions.txt		diff \| blob \| history
src/gromacs/correlationfunctions/autocorr.cpp		diff \| blob \| history
src/gromacs/domdec/domdec.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_setup.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_topology.cpp		diff \| blob \| history
src/gromacs/essentialdynamics/edsam.cpp		diff \| blob \| history
src/gromacs/ewald/ewald.cpp		diff \| blob \| history
src/gromacs/ewald/long-range-correction.cpp		diff \| blob \| history
src/gromacs/ewald/pme-load-balancing.cpp		diff \| blob \| history
src/gromacs/ewald/pme-pp.cpp		diff \| blob \| history
src/gromacs/ewald/pme.cpp		diff \| blob \| history
src/gromacs/fileio/checkpoint.cpp		diff \| blob \| history
src/gromacs/fileio/enxio.cpp		diff \| blob \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| history
src/gromacs/fileio/trrio.cpp		diff \| blob \| history
src/gromacs/fileio/trxio.cpp		diff \| blob \| history
src/gromacs/fileio/txtdump.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_bar.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_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_mindist.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_pme_error.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_rmsdist.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_sigeps.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_tune_pme.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_wham.cpp		diff \| blob \| history
src/gromacs/gmxana/sfactor.cpp		diff \| blob \| history
src/gromacs/gmxlib/disre.cpp		diff \| blob \| history
src/gromacs/gmxlib/gmx_detect_hardware.cpp		diff \| blob \| history
src/gromacs/gmxlib/gpu_utils/gpu_utils_ocl.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nonbonded.cpp		diff \| blob \| history
src/gromacs/gmxlib/nrnb.cpp		diff \| blob \| history
src/gromacs/gmxlib/readinp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/convparm.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gen_vsite.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/genconf.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/hackblock.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/nm2type.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readpull.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readrot.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/topio.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/toppush.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/vsite_parm.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/x2top.cpp		diff \| blob \| history
src/gromacs/imd/imd.cpp		diff \| blob \| history
src/gromacs/legacyheaders/names.h	[deleted file]	blob \| history
src/gromacs/legacyheaders/types/enums.h	[deleted file]	blob \| history
src/gromacs/legacyheaders/types/forcerec.h		diff \| blob \| history
src/gromacs/listed-forces/listed-forces.cpp		diff \| blob \| history
src/gromacs/listed-forces/pairs.cpp		diff \| blob \| history
src/gromacs/listed-forces/position-restraints.cpp		diff \| blob \| history
src/gromacs/mdlib/broadcaststructs.cpp		diff \| blob \| history
src/gromacs/mdlib/calc_verletbuf.cpp		diff \| blob \| history
src/gromacs/mdlib/clincs.cpp		diff \| blob \| history
src/gromacs/mdlib/compute_io.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/genborn.cpp		diff \| blob \| history
src/gromacs/mdlib/genborn_allvsall.cpp		diff \| blob \| history
src/gromacs/mdlib/md_support.cpp		diff \| blob \| history
src/gromacs/mdlib/mdatoms.cpp		diff \| blob \| history
src/gromacs/mdlib/mdebin.cpp		diff \| blob \| history
src/gromacs/mdlib/mdebin_bar.cpp		diff \| blob \| history
src/gromacs/mdlib/mdoutf.cpp		diff \| blob \| history
src/gromacs/mdlib/minimize.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu		diff \| blob \| history
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.cpp.pre		diff \| blob \| history
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_jit_support.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_search.cpp		diff \| blob \| history
src/gromacs/mdlib/ns.cpp		diff \| blob \| history
src/gromacs/mdlib/perf_est.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/rf_util.cpp		diff \| blob \| history
src/gromacs/mdlib/shakef.cpp		diff \| blob \| history
src/gromacs/mdlib/shellfc.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdlib/stat.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/wall.cpp		diff \| blob \| history
src/gromacs/mdlib/wnblist.cpp		diff \| blob \| history
src/gromacs/mdtypes/CMakeLists.txt		diff \| blob \| history
src/gromacs/mdtypes/inputrec.cpp		diff \| blob \| history
src/gromacs/mdtypes/inputrec.h		diff \| blob \| history
src/gromacs/mdtypes/md_enums.cpp	[moved from src/gromacs/gmxlib/names.cpp with 72% similarity]	diff \| blob \| history
src/gromacs/mdtypes/md_enums.h	[new file with mode: 0644]	blob
src/gromacs/mdtypes/state.cpp		diff \| blob \| history
src/gromacs/mdtypes/state.h		diff \| blob \| history
src/gromacs/pbcutil/boxutilities.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/swap/swapcoords.cpp		diff \| blob \| history
src/gromacs/tables/forcetable.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/atoms.cpp		diff \| blob \| history
src/gromacs/topology/atoms.h		diff \| blob \| history
src/gromacs/topology/mtop_util.cpp		diff \| blob \| history
src/gromacs/topology/topology.cpp		diff \| blob \| history
src/gromacs/topology/topology.h		diff \| blob \| history
src/programs/mdrun/md.cpp		diff \| blob \| history
src/programs/mdrun/membed.cpp		diff \| blob \| history
src/programs/mdrun/repl_ex.cpp		diff \| blob \| history
src/programs/mdrun/resource-division.cpp		diff \| blob \| history
src/programs/mdrun/runner.cpp		diff \| blob \| history
src/programs/view/dialogs.cpp		diff \| blob \| history
src/programs/view/manager.cpp		diff \| blob \| history

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