Searched refs:jCoord (Results 1 – 1 of 1) sorted by relevance
/dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/ |
H A D | pair_smtbq.cpp | 1536 double engBB,fforceBB, dIntfcoup2loc,iCoord,jCoord,iIntfCoup2,jIntfCoup2; in potqeq() local 1551 jCoord=coord[j]; in potqeq() 1553 jIntfCoup2= Intfcoup2(jCoord,coordOxBulk,0.15); in potqeq() 1586 eng= engBulk + (iCoord+jCoord-2*coordOxBulk)/(2*(coordOxBB-coordOxBulk)) *(engBB-engBulk) in potqeq() 1602 …fforce= fforceBulk + (iCoord+jCoord-2*coordOxBulk)/(2*(coordOxBB-coordOxBulk))*(fforceBB-fforceBul… in potqeq() 1617 iCoord=jCoord; } in potqeq() 1664 double engBB,iCoord,jCoord,iIntfCoup2,jIntfCoup2; in pot_ES() local 1679 jCoord=coord[j]; in pot_ES() 1681 jIntfCoup2= Intfcoup2(jCoord,coordOxBulk,0.15); in pot_ES() 1705 eng= engBulk + (iCoord+jCoord-2*coordOxBulk)/(2*(coordOxBB-coordOxBulk))*(engBB-engBulk) in pot_ES() [all …]
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