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Merge branch 'master' into openmp-step6

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Resolved Conflicts:
	src/GPU/pppm_gpu.cpp
	src/KSPACE/ewald.h
	src/MANYBODY/pair_airebo.cpp
	src/MANYBODY/pair_comb.cpp
	src/MANYBODY/pair_comb.h
	src/MANYBODY/pair_tersoff.h
	src/MOLECULE/pair_hbond_dreiding_lj.cpp
	src/MOLECULE/pair_hbond_dreiding_morse.cpp
	src/USER-CUDA/pppm_cuda.cpp
	src/USER-OMP/Install.sh
	src/USER-OMP/Package.sh
	src/USER-OMP/dihedral_charmm_omp.cpp
	src/USER-OMP/dihedral_charmm_omp.h
	src/USER-OMP/dihedral_class2_omp.cpp
	src/USER-OMP/dihedral_class2_omp.h
	src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
	src/USER-OMP/dihedral_cosine_shift_exp_omp.h
	src/USER-OMP/dihedral_harmonic_omp.cpp
	src/USER-OMP/dihedral_harmonic_omp.h
	src/USER-OMP/dihedral_helix_omp.cpp
	src/USER-OMP/dihedral_helix_omp.h
	src/USER-OMP/dihedral_multi_harmonic_omp.cpp
	src/USER-OMP/dihedral_multi_harmonic_omp.h
	src/USER-OMP/dihedral_opls_omp.cpp
	src/USER-OMP/dihedral_opls_omp.h
	src/USER-OMP/fix_nve_sphere_omp.cpp
	src/USER-OMP/pair_adp_omp.cpp
	src/USER-OMP/pair_adp_omp.h
	src/USER-OMP/pair_born_coul_long_omp.cpp
	src/USER-OMP/pair_born_coul_long_omp.h
	src/USER-OMP/pair_born_omp.cpp
	src/USER-OMP/pair_born_omp.h
	src/USER-OMP/pair_buck_coul_cut_omp.cpp
	src/USER-OMP/pair_buck_coul_cut_omp.h
	src/USER-OMP/pair_buck_coul_long_omp.cpp
	src/USER-OMP/pair_buck_coul_long_omp.h
	src/USER-OMP/pair_buck_coul_omp.cpp
	src/USER-OMP/pair_buck_coul_omp.h
	src/USER-OMP/pair_buck_omp.cpp
	src/USER-OMP/pair_buck_omp.h
	src/USER-OMP/pair_cdeam_omp.cpp
	src/USER-OMP/pair_cdeam_omp.h
	src/USER-OMP/pair_colloid_omp.cpp
	src/USER-OMP/pair_colloid_omp.h
	src/USER-OMP/pair_coul_cut_omp.cpp
	src/USER-OMP/pair_coul_cut_omp.h
	src/USER-OMP/pair_coul_debye_omp.cpp
	src/USER-OMP/pair_coul_debye_omp.h
	src/USER-OMP/pair_coul_long_omp.cpp
	src/USER-OMP/pair_coul_long_omp.h
	src/USER-OMP/pair_dipole_cut_omp.cpp
	src/USER-OMP/pair_dipole_cut_omp.h
	src/USER-OMP/pair_dipole_sf_omp.cpp
	src/USER-OMP/pair_dipole_sf_omp.h
	src/USER-OMP/pair_dpd_omp.cpp
	src/USER-OMP/pair_dpd_omp.h
	src/USER-OMP/pair_dpd_tstat_omp.cpp
	src/USER-OMP/pair_dpd_tstat_omp.h
	src/USER-OMP/pair_eam_omp.cpp
	src/USER-OMP/pair_eam_omp.h
	src/USER-OMP/pair_edip_omp.cpp
	src/USER-OMP/pair_edip_omp.h
	src/USER-OMP/pair_eim_omp.cpp
	src/USER-OMP/pair_eim_omp.h
	src/USER-OMP/pair_gauss_omp.cpp
	src/USER-OMP/pair_gauss_omp.h
	src/USER-OMP/pair_gayberne_omp.cpp
	src/USER-OMP/pair_gayberne_omp.h
	src/USER-OMP/pair_gran_hertz_history_omp.cpp
	src/USER-OMP/pair_gran_hertz_history_omp.h
	src/USER-OMP/pair_gran_hooke_history_omp.cpp
	src/USER-OMP/pair_gran_hooke_history_omp.h
	src/USER-OMP/pair_gran_hooke_omp.cpp
	src/USER-OMP/pair_gran_hooke_omp.h
	src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
	src/USER-OMP/pair_hbond_dreiding_lj_omp.h
	src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
	src/USER-OMP/pair_hbond_dreiding_morse_omp.h
	src/USER-OMP/pair_lj96_cut_omp.cpp
	src/USER-OMP/pair_lj96_cut_omp.h
	src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
	src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h
	src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
	src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h
	src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
	src/USER-OMP/pair_lj_charmm_coul_long_omp.h
	src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
	src/USER-OMP/pair_lj_class2_coul_cut_omp.h
	src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
	src/USER-OMP/pair_lj_class2_coul_long_omp.h
	src/USER-OMP/pair_lj_class2_omp.cpp
	src/USER-OMP/pair_lj_class2_omp.h
	src/USER-OMP/pair_lj_coul_omp.cpp
	src/USER-OMP/pair_lj_coul_omp.h
	src/USER-OMP/pair_lj_cubic_omp.cpp
	src/USER-OMP/pair_lj_cubic_omp.h
	src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_cut_omp.h
	src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_debye_omp.h
	src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_long_omp.h
	src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.h
	src/USER-OMP/pair_lj_cut_omp.cpp
	src/USER-OMP/pair_lj_expand_omp.cpp
	src/USER-OMP/pair_lj_expand_omp.h
	src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
	src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h
	src/USER-OMP/pair_lj_gromacs_omp.cpp
	src/USER-OMP/pair_lj_gromacs_omp.h
	src/USER-OMP/pair_lj_sf_omp.cpp
	src/USER-OMP/pair_lj_sf_omp.h
	src/USER-OMP/pair_lj_smooth_omp.cpp
	src/USER-OMP/pair_lj_smooth_omp.h
	src/USER-OMP/pair_lubricate_omp.cpp
	src/USER-OMP/pair_lubricate_omp.h
	src/USER-OMP/pair_morse_omp.cpp
	src/USER-OMP/pair_morse_omp.h
	src/USER-OMP/pair_peri_lps_omp.cpp
	src/USER-OMP/pair_peri_lps_omp.h
	src/USER-OMP/pair_peri_pmb_omp.cpp
	src/USER-OMP/pair_peri_pmb_omp.h
	src/USER-OMP/pair_resquared_omp.cpp
	src/USER-OMP/pair_resquared_omp.h
	src/USER-OMP/pair_soft_omp.cpp
	src/USER-OMP/pair_soft_omp.h
	src/USER-OMP/pair_sw_omp.cpp
	src/USER-OMP/pair_sw_omp.h
	src/USER-OMP/pair_table_omp.cpp
	src/USER-OMP/pair_table_omp.h
	src/USER-OMP/pair_tersoff_omp.cpp
	src/USER-OMP/pair_tersoff_omp.h
	src/USER-OMP/pair_yukawa_colloid_omp.cpp
	src/USER-OMP/pair_yukawa_colloid_omp.h
	src/USER-OMP/pair_yukawa_omp.cpp
	src/USER-OMP/pair_yukawa_omp.h
	src/USER-OMP/thr_omp.cpp
	src/USER-OMP/thr_omp.h
	src/read_data.cpp
This commit is contained in:
Axel Kohlmeyer
2011-10-21 15:50:39 -04:00
parent b1492a195b fa80bceb30
commit 31dc359e82
198 changed files with 14539 additions and 2994 deletions
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4
src/angle.cpp
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@ -16,10 +16,12 @@
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
/* ---------------------------------------------------------------------- */
@ -28,8 +30,6 @@ Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
energy = 0.0;
allocated = 0;
PI = 4.0*atan(1.0);
THIRD = 1.0/3.0;
maxeatom = maxvatom = 0;
eatom = NULL;