Diffusion lammps 4ec07422f07c

avoid division by zero when using cutoff 0.0 with pair_modify shift yes
4ec07422f07c
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jul 15 2017, 05:33.

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avoid division by zero when using cutoff 0.0 with pair_modify shift yes

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Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jul 15 2017, 05:33

Pushed

Oct 19 2017, 09:53

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rLAMMPS3f297382ac1f: Revert "do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and…

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS4ec07422f07c: avoid division by zero when using cutoff 0.0 with pair_modify shift yes (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jul 15 2017, 05:33

Changes (42)

				Path
	M			src/ASPHERE/pair_gayberne.cpp
	M			src/ASPHERE/pair_resquared.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_colloid.cpp
	M			src/COLLOID/pair_yukawa_colloid.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/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_long_coul_long.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-CGSDK/pair_lj_sdk.cpp
	M			src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
	M			src/USER-FEP/pair_lj_charmm_coul_long_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-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_list.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_lj96_cut.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_mie_cut.cpp
	M			src/pair_yukawa.cpp

rLAMMPS4ec07422f07c

src/ASPHERE/pair_gayberne.cpp

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src/ASPHERE/pair_resquared.cpp

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src/CLASS2/pair_lj_class2.cpp

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src/CLASS2/pair_lj_class2_coul_cut.cpp

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src/CLASS2/pair_lj_class2_coul_long.cpp

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src/COLLOID/pair_colloid.cpp

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src/COLLOID/pair_yukawa_colloid.cpp

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src/DIPOLE/pair_lj_cut_dipole_cut.cpp

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src/DIPOLE/pair_lj_cut_dipole_long.cpp

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src/DIPOLE/pair_lj_long_dipole_long.cpp

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src/KSPACE/pair_born_coul_long.cpp

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src/KSPACE/pair_buck_coul_long.cpp

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src/KSPACE/pair_buck_long_coul_long.cpp

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src/KSPACE/pair_lj_cut_coul_long.cpp

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src/KSPACE/pair_lj_long_coul_long.cpp

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src/MISC/pair_nm_cut.cpp

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src/MISC/pair_nm_cut_coul_cut.cpp

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src/MISC/pair_nm_cut_coul_long.cpp

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src/MOLECULE/pair_lj_cut_tip4p_cut.cpp

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src/USER-CGSDK/pair_lj_sdk.cpp

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src/USER-CGSDK/pair_lj_sdk_coul_long.cpp

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src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp

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src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp

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src/USER-FEP/pair_lj_cut_coul_long_soft.cpp

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src/USER-FEP/pair_lj_cut_soft.cpp

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src/USER-MISC/pair_buck_mdf.cpp

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src/USER-MISC/pair_coul_diel.cpp

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src/USER-MISC/pair_gauss_cut.cpp

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src/USER-MISC/pair_kolmogorov_crespi_z.cpp

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src/USER-MISC/pair_list.cpp

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src/pair_born.cpp

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src/pair_born_coul_dsf.cpp

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src/pair_born_coul_wolf.cpp

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src/pair_buck.cpp

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src/pair_buck_coul_cut.cpp

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src/pair_lj96_cut.cpp

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src/pair_lj_cut.cpp

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src/pair_lj_cut_coul_cut.cpp

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src/pair_lj_cut_coul_dsf.cpp

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src/pair_lj_expand.cpp

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src/pair_mie_cut.cpp

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src/pair_yukawa.cpp

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