From ffb59dde8dafc49b3ec1c247d0e288901301078f Mon Sep 17 00:00:00 2001 From: Eric Bylaska Date: Thu, 9 Nov 2023 15:10:32 -0800 Subject: [PATCH] ...EJB --- src/nwpw/nwpwlib/MetaDynamics/metadynamics.F | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/nwpw/nwpwlib/MetaDynamics/metadynamics.F b/src/nwpw/nwpwlib/MetaDynamics/metadynamics.F index f3d372c6bd..58adf8a96e 100644 --- a/src/nwpw/nwpwlib/MetaDynamics/metadynamics.F +++ b/src/nwpw/nwpwlib/MetaDynamics/metadynamics.F @@ -1578,7 +1578,7 @@ c **** reactive_site **** dy = y1-y2 dz = z1-z2 call lattice_min_difference(dx,dy,dz) - r2 = (dx1**2 + dy1**2 + dz1**2) + r2 = (dx**2 + dy**2 + dz**2) r1 = dsqrt(r2) f = param(5+j)*dexp(-alpha*r2) df = (-2.0d0*alpha*r1*f)