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

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

author	Paul Bauer <paul.bauer.q@gmail.com>
	Tue, 2 Mar 2021 15:34:21 +0000 (15:34 +0000)
committer	Paul Bauer <paul.bauer.q@gmail.com>
	Tue, 2 Mar 2021 15:34:21 +0000 (15:34 +0000)
commit	079950eec4d7d7b9e119cda220f181e179e29326
tree	01db6f280df04449c04553462eff2bf09ade9dc7	tree \| snapshot
parent	26649005a72e75f0835c6b61358d3a7a6e84a2f2	commit \| diff

Modernize atom enums

Use enum classes and enumeration array for particle and PDB record
types.

35 files changed:

api/legacy/include/gromacs/fileio/pdbio.h		diff \| blob \| history
src/gromacs/domdec/domdec_topology.cpp		diff \| blob \| history
src/gromacs/domdec/dump.cpp		diff \| blob \| history
src/gromacs/fileio/pdbio.cpp		diff \| blob \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_anaeig.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_chi.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_confrms.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_order.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/editconf.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gen_vsite.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gpp_atomtype.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gpp_atomtype.h		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.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/mdlib/calc_verletbuf.cpp		diff \| blob \| history
src/gromacs/mdlib/constr.cpp		diff \| blob \| history
src/gromacs/mdlib/mdatoms.cpp		diff \| blob \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| history
src/gromacs/mdlib/vsite.cpp		diff \| blob \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| history
src/gromacs/mdrun/shellfc.cpp		diff \| blob \| history
src/gromacs/mdrun/shellfc.h		diff \| blob \| history
src/gromacs/mdtypes/mdatom.h		diff \| blob \| history
src/gromacs/modularsimulator/statepropagatordata.cpp		diff \| blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp		diff \| blob \| history
src/gromacs/tools/report_methods.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/mtop_util.h		diff \| blob \| history
src/gromacs/trajectoryanalysis/modules/sasa.cpp		diff \| blob \| history

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