(985dad55) · Commits · 郑智淋 / lammps

src/CLASS2/improper_class2.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -477,7 +477,7 @@ void ImproperClass2::compute(int eflag, int vflag)

		if (evflag)
		ev_tally(i1,i2,i3,i4,nlocal,newton_bond,eimproper,
		fabcd[i1],fabcd[i3],fabcd[i4],
		fabcd[0],fabcd[2],fabcd[3],
		delr[0][0],delr[0][1],delr[0][2],
		delr[1][0],delr[1][1],delr[1][2],
		delr[2][0]-delr[1][0],delr[2][1]-delr[1][1],
		@@ -821,7 +821,7 @@ void ImproperClass2::angleangle(int eflag, int vflag)

		if (evflag)
		ev_tally(i1,i2,i3,i4,nlocal,newton_bond,eimproper,
		fabcd[i1],fabcd[i3],fabcd[i4],
		fabcd[0],fabcd[2],fabcd[3],
		delxAB,delyAB,delzAB,delxBC,delyBC,delzBC,delxBD,delyBD,delzBD);
		}
		}