Diffusion lammps 51fc386e7224

correct the inner loop range for resetting cutoffs when redefining a pair style
51fc386e7224
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on May 16 2017, 06:26.

Description

correct the inner loop range for resetting cutoffs when redefining a pair style

this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

May 16 2017, 06:26

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS06c151421c4f: Merge pull request #478 from akohlmey/add-python-source-cmd

Branches

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Tags

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS51fc386e7224: correct the inner loop range for resetting cutoffs when redefining a pair style (authored by Axel Kohlmeyer <akohlmey@gmail.com>).May 16 2017, 06:26

Changes (79)

				Path
	M			src/ASPHERE/pair_gayberne.cpp
	M			src/ASPHERE/pair_line_lj.cpp
	M			src/ASPHERE/pair_resquared.cpp
	M			src/ASPHERE/pair_tri_lj.cpp
	M			src/BODY/pair_body.cpp
	M			src/CLASS2/pair_lj_class2.cpp
	M			src/CLASS2/pair_lj_class2_coul_cut.cpp
	M			src/CLASS2/pair_lj_class2_coul_long.cpp
	M			src/COLLOID/pair_brownian.cpp
	M			src/COLLOID/pair_colloid.cpp
	M			src/COLLOID/pair_lubricate.cpp
	M			src/COLLOID/pair_lubricateU.cpp
	M			src/COLLOID/pair_lubricateU_poly.cpp
	M			src/DIPOLE/pair_lj_cut_dipole_cut.cpp
	M			src/DIPOLE/pair_lj_cut_dipole_long.cpp
	M			src/DIPOLE/pair_lj_long_dipole_long.cpp
	M			src/KOKKOS/pair_coul_debye_kokkos.cpp
	M			src/KSPACE/pair_born_coul_long.cpp
	M			src/KSPACE/pair_buck_coul_long.cpp
	M			src/KSPACE/pair_buck_long_coul_long.cpp
	M			src/KSPACE/pair_lj_cut_coul_long.cpp
	M			src/KSPACE/pair_lj_cut_tip4p_long.cpp
	M			src/KSPACE/pair_lj_long_coul_long.cpp
	M			src/KSPACE/pair_lj_long_tip4p_long.cpp
	M			src/MC/pair_dsmc.cpp
	M			src/MISC/pair_nm_cut.cpp
	M			src/MISC/pair_nm_cut_coul_cut.cpp
	M			src/MISC/pair_nm_cut_coul_long.cpp
	M			src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
	M			src/USER-AWPMD/pair_awpmd_cut.cpp
	M			src/USER-CGSDK/pair_lj_sdk.cpp
	M			src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
	M			src/USER-DPD/pair_dpd_fdt.cpp
	M			src/USER-DPD/pair_dpd_fdt_energy.cpp
	M			src/USER-DPD/pair_exp6_rx.cpp
	M			src/USER-DRUDE/pair_lj_cut_thole_long.cpp
	M			src/USER-DRUDE/pair_thole.cpp
	M			src/USER-EFF/pair_eff_cut.cpp
	M			src/USER-FEP/pair_coul_cut_soft.cpp
	M			src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
	M			src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
	M			src/USER-FEP/pair_lj_cut_soft.cpp
	M			src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
	M			src/USER-FEP/pair_morse_soft.cpp
	M			src/USER-MISC/pair_buck_mdf.cpp
	M			src/USER-MISC/pair_coul_diel.cpp
	M			src/USER-MISC/pair_gauss_cut.cpp
	M			src/USER-MISC/pair_kolmogorov_crespi_z.cpp
	M			src/USER-MISC/pair_lennard_mdf.cpp
	M			src/USER-MISC/pair_lj_mdf.cpp
	M			src/USER-MISC/pair_lj_sf.cpp
	M			src/USER-MISC/pair_lj_sf_dipole_sf.cpp
	M			src/USER-MISC/pair_momb.cpp
	M			src/USER-MISC/pair_morse_smooth_linear.cpp
	M			src/USER-MISC/pair_srp.cpp
	M			src/pair_beck.cpp
	M			src/pair_born.cpp
	M			src/pair_born_coul_dsf.cpp
	M			src/pair_born_coul_wolf.cpp
	M			src/pair_buck.cpp
	M			src/pair_buck_coul_cut.cpp
	M			src/pair_coul_cut.cpp
	M			src/pair_coul_debye.cpp
	M			src/pair_dpd.cpp
	M			src/pair_dpd_tstat.cpp
	M			src/pair_gauss.cpp
	M			src/pair_lj96_cut.cpp
	M			src/pair_lj_cubic.cpp
	M			src/pair_lj_cut.cpp
	M			src/pair_lj_cut_coul_cut.cpp
	M			src/pair_lj_cut_coul_dsf.cpp
	M			src/pair_lj_expand.cpp
	M			src/pair_lj_gromacs.cpp
	M			src/pair_lj_smooth.cpp
	M			src/pair_lj_smooth_linear.cpp
	M			src/pair_mie_cut.cpp
	M			src/pair_morse.cpp
	M			src/pair_soft.cpp
	M			src/pair_yukawa.cpp