[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/calc_dipole

Comparing trunk/OOPSE/libmdtools/calc_dipole_dipole.F90 (file contents):
Revision 469 by mmeineke, Mon Apr 7 20:06:31 2003 UTC vs.
Revision 482 by chuckv, Tue Apr 8 22:38:43 2003 UTC

#	Line 149 \| Line 149 \| contains
149
150
151		#ifdef IS_MPI
152	<	f_Row(1,atom1) = f_Row(1,atom1) - dudx
153	<	f_Row(2,atom1) = f_Row(2,atom1) - dudy
154	<	f_Row(3,atom1) = f_Row(3,atom1) - dudz
152	>	f_Row(1,atom1) = f_Row(1,atom1) + dudx
153	>	f_Row(2,atom1) = f_Row(2,atom1) + dudy
154	>	f_Row(3,atom1) = f_Row(3,atom1) + dudz
155
156	<	f_Col(1,atom2) = f_Col(1,atom2) + dudx
157	<	f_Col(2,atom2) = f_Col(2,atom2) + dudy
158	<	f_Col(3,atom2) = f_Col(3,atom2) + dudz
156	>	f_Col(1,atom2) = f_Col(1,atom2) - dudx
157	>	f_Col(2,atom2) = f_Col(2,atom2) - dudy
158	>	f_Col(3,atom2) = f_Col(3,atom2) - dudz
159
160		t_Row(1,atom1) = t_Row(1,atom1) - ul1(2)dudu1z + ul1(3)dudu1y
161		t_Row(2,atom1) = t_Row(2,atom1) - ul1(3)dudu1x + ul1(1)dudu1z
#	Line 165 \| Line 165 \| contains
165		t_Col(2,atom2) = t_Col(2,atom2) - ul2(3)dudu2x + ul2(1)dudu2z
166		t_Col(3,atom2) = t_Col(3,atom2) - ul2(1)dudu2y + ul2(2)dudu2x
167		#else
168	<	f(1,atom1) = f(1,atom1) - dudx
169	<	f(2,atom1) = f(2,atom1) - dudy
170	<	f(3,atom1) = f(3,atom1) - dudz
168	>	f(1,atom1) = f(1,atom1) + dudx
169	>	f(2,atom1) = f(2,atom1) + dudy
170	>	f(3,atom1) = f(3,atom1) + dudz
171
172	<	f(1,atom2) = f(1,atom2) + dudx
173	<	f(2,atom2) = f(2,atom2) + dudy
174	<	f(3,atom2) = f(3,atom2) + dudz
172	>	f(1,atom2) = f(1,atom2) - dudx
173	>	f(2,atom2) = f(2,atom2) - dudy
174	>	f(3,atom2) = f(3,atom2) - dudz
175
176		t(1,atom1) = t(1,atom1) - ul1(2)dudu1z + ul1(3)dudu1y
177		t(2,atom1) = t(2,atom1) - ul1(3)dudu1x + ul1(1)dudu1z

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