Searched refs:fforceBulk (Results 1 – 1 of 1) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/ |
| H A D | pair_smtbq.cpp | 1535 double r,t1,t2,sds,xi,engBulk,engSurf,fforceBulk,fforceSurf,dcoordloc,dcoupureloc; in potqeq() local
1593 fforceBulk=fforce; in potqeq()
1602 …fforce= fforceBulk + (iCoord+jCoord-2*coordOxBulk)/(2*(coordOxBB-coordOxBulk))*(fforceBB-fforceBul… in potqeq()
1603 + (iIntfCoup2+jIntfCoup2)*((fforceBulk-fforceSurf)/(2*(coordOxBulk-coordOxSurf)) in potqeq()
1604 - (fforceBB-fforceBulk)/(2*(coordOxBB-coordOxBulk))) ; in potqeq()
1625 fforceBulk=fforce; in potqeq()
1639 fforce = fforceBulk + 1/(coordOxBulk-coordOxSurf) * ((fforceBulk-fforceSurf)* iIntfCoup2 in potqeq()
1641 + 1/(coordOxBB-coordOxBulk) * ((fforceBB-fforceBulk)*(iCoord-coordOxBulk- iIntfCoup2) in potqeq()
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