forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11419 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -240,8 +240,9 @@ void PairHbondDreidingLJOMP::eval(int iifrom, int iito, ThrData * const thr)
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pm.denom_vdw;
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switch2 = 12.0*rsq * (pm.cut_outersq-rsq) *
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(rsq-pm.cut_innersq) / pm.denom_vdw;
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force_kernel = force_kernel*switch1 + eng_lj*switch2;
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eng_lj *= switch1;
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force_kernel = force_kernel*switch1 + eng_lj*switch2/rsq;
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force_angle *= switch1;
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eng_lj *= switch1;
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}
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if (EFLAG) {
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@ -239,8 +239,9 @@ void PairHbondDreidingMorseOMP::eval(int iifrom, int iito, ThrData * const thr)
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pm.denom_vdw;
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switch2 = 12.0*rsq * (pm.cut_outersq-rsq) *
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(rsq-pm.cut_innersq) / pm.denom_vdw;
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force_kernel = force_kernel*switch1 + eng_morse*switch2;
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eng_morse *= switch1;
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force_kernel = force_kernel*switch1 + eng_morse*switch2/rsq;
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force_angle *= switch1;
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eng_morse *= switch1;
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}
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if (EFLAG) {
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