Clean up vec.h
authorTeemu Murtola <teemu.murtola@gmail.com>
Wed, 23 Dec 2015 14:55:43 +0000 (16:55 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sat, 26 Dec 2015 15:15:08 +0000 (16:15 +0100)
commitb40fe177fbaf30427a0e12ea2356accc1eb2b0b6
tree69a7106e617107e955a112c248c2cb618cb3db47
parent5fabc7c8e89069fd146ae5669afa423c30ece405
Clean up vec.h

- Remove cos_angle_no_table() and unitv_no_table(), since they are now
  essentially identical to the normal versions.
- Replace all uses of cos_angle_no_table() with gmx_angle(), since all
  were used in a numerically unstable way.
- Replace uses of m_rveccopy() with copy_rvecn(), which does the same
  thing.
- Move some functions that are not related to operations on rvec/friends
  to other files.
- Remove #includes made unnecessary by the above changes, and add them
  to source files that previously got them transitively.
- Remove extern "C" guards from the header, since it anyways does not
  compile as C.

Change-Id: I933e7257601ee6f0e9ccf516e0bdcb1a85834a51
44 files changed:
src/gromacs/domdec/domdec_setup.cpp
src/gromacs/essentialdynamics/edsam.cpp
src/gromacs/ewald/calculate-spline-moduli.cpp
src/gromacs/ewald/ewald.cpp
src/gromacs/ewald/pme-solve.cpp
src/gromacs/fileio/pdbio.cpp
src/gromacs/fileio/tpxio.cpp
src/gromacs/fileio/vmdio.cpp
src/gromacs/gmxana/gmx_analyze.cpp
src/gromacs/gmxana/gmx_bundle.cpp
src/gromacs/gmxana/gmx_confrms.cpp
src/gromacs/gmxana/gmx_densmap.cpp
src/gromacs/gmxana/gmx_editconf.cpp
src/gromacs/gmxana/gmx_filter.cpp
src/gromacs/gmxana/gmx_genion.cpp
src/gromacs/gmxana/gmx_gyrate.cpp
src/gromacs/gmxana/gmx_helixorient.cpp
src/gromacs/gmxana/gmx_order.cpp
src/gromacs/gmxana/gmx_potential.cpp
src/gromacs/gmxana/gmx_rms.cpp
src/gromacs/gmxana/gmx_rmsf.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/solvate.cpp
src/gromacs/imd/imd.cpp
src/gromacs/listed-forces/bonded.cpp
src/gromacs/math/functions.h
src/gromacs/math/vec.h
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/genborn.h
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/nbnxn_atomdata.cpp
src/gromacs/mdlib/perf_est.cpp
src/gromacs/mdlib/update.cpp
src/gromacs/pbcutil/pbc.cpp
src/gromacs/pbcutil/pbc.h
src/gromacs/pulling/pull_rotation.cpp
src/gromacs/pulling/pullutil.cpp
src/gromacs/selection/params.cpp
src/gromacs/simd/tests/simd_math.cpp
src/gromacs/swap/swapcoords.cpp
src/gromacs/trajectoryanalysis/modules/angle.cpp
src/gromacs/trajectoryanalysis/modules/freevolume.cpp
src/gromacs/trajectoryanalysis/modules/surfacearea.cpp
src/programs/mdrun/runner.cpp