calcgradient.cl 42.2 KB
Newer Older
1001
			// Projecting torque on rotation axis
1002
1003
1004
			float torque_on_axis = dot(rotation_unitvec, torque_tor);

			// Assignment of gene-based gradient
Leonardo Solis's avatar
Leonardo Solis committed
1005
			gradient_genotype[rotbond_id+6] = torque_on_axis * (M_PI / 180.0f);
1006

1007
1008
1009
1010
			//#if defined (DEBUG_GRAD_TORSION_GENES)
			//printf("gradient_torsion [%u] :%f\n", rotbond_id+6, gradient_genotype [rotbond_id+6]);
			//#endif
			
1011
		} // End of iterations over rotatable bonds
1012
1013
1014
	}

}
For faster browsing, not all history is shown. View entire blame