improved more readability

device/calcgradient.cl

@@ -801,9 +801,9 @@ void gpu_calc_gradient(
 		if (atom_cnt == 0) {
 			printf("\n%s\n", "----------------------------------------------------------");
 			printf("%s\n", "Gradients: inter and intra");
-			printf("%-10s %-13s %-13s %-13s %-5s %-13s %-13s %-13s\n", "atom_id", "grad_intER.x", "grad_intER.y", "grad_intER.z", "|", "grad_intRA.x", "grad_intRA.y", "grad_intRA.z");
+			printf("%10s %13s %13s %13s %5s %13s %13s %13s\n", "atom_id", "grad_intER.x", "grad_intER.y", "grad_intER.z", "|", "grad_intRA.x", "grad_intRA.y", "grad_intRA.z");
 		}
-		printf("%-10u %-13.6f %-13.6f %-13.6f %-5s %-13.6f %-13.6f %-13.6f\n", atom_cnt, gradient_inter_x[atom_cnt], gradient_inter_y[atom_cnt], gradient_inter_z[atom_cnt], "|", gradient_intra_x[atom_cnt], gradient_intra_y[atom_cnt], gradient_intra_z[atom_cnt]);
+		printf("%10u %13.6f %13.6f %13.6f %5s %13.6f %13.6f %13.6f\n", atom_cnt, gradient_inter_x[atom_cnt], gradient_inter_y[atom_cnt], gradient_inter_z[atom_cnt], "|", gradient_intra_x[atom_cnt], gradient_intra_y[atom_cnt], gradient_intra_z[atom_cnt]);
 		#endif
 
 		// Re-using "gradient_inter_*" for total gradient (inter+intra)
@@ -819,9 +819,9 @@ void gpu_calc_gradient(
 		if (atom_cnt == 0) {
 			printf("\n%s\n", "----------------------------------------------------------");
 			printf("%s\n", "Gradients: total = inter + intra");
-			printf("%-10s %-13s %-13s %-13s\n", "atom_id", "grad.x", "grad.y", "grad.z");
+			printf("%10s %13s %13s %13s\n", "atom_id", "grad.x", "grad.y", "grad.z");
 		}
-		printf("%-10u %-13.6f %-13.6f %-13.6f \n", atom_cnt, gradient_inter_x[atom_cnt], gradient_inter_y[atom_cnt], gradient_inter_z[atom_cnt]);
+		printf("%10u %13.6f %13.6f %13.6f \n", atom_cnt, gradient_inter_x[atom_cnt], gradient_inter_y[atom_cnt], gradient_inter_z[atom_cnt]);
 		#endif
 	}
 
@@ -921,9 +921,9 @@ void gpu_calc_gradient(
 			if (lig_atom_id == 0) {
 				printf("\n%s\n", "----------------------------------------------------------");
 				printf("%s\n", "Torque: atom-based accumulation of torque");
-				printf("%-10s %-10s %-10s %-10s %-5s %-12s %-12s %-12s %-5s %-11s %-11s %-11s\n", "atom_id", "r.x", "r.y", "r.z", "|", "force.x", "force.y", "force.z", "|", "torque.x", "torque.y", "torque.z");
+				printf("%10s %10s %10s %10s %5s %12s %12s %12s %5s %11s %11s %11s\n", "atom_id", "r.x", "r.y", "r.z", "|", "force.x", "force.y", "force.z", "|", "torque.x", "torque.y", "torque.z");
 			}
-			printf("%-10u %-10.6f %-10.6f %-10.6f %-5s %-12.6f %-12.6f %-12.6f %-5s %-12.6f %-12.6f %-12.6f\n", lig_atom_id, r.x, r.y, r.z, "|", force.x, force.y, force.z, "|", torque_rot.x, torque_rot.y, torque_rot.z);
+			printf("%10u %10.6f %10.6f %10.6f %5s %12.6f %12.6f %12.6f %5s %12.6f %12.6f %12.6f\n", lig_atom_id, r.x, r.y, r.z, "|", force.x, force.y, force.z, "|", torque_rot.x, torque_rot.y, torque_rot.z);
 			//printf("%-10u %-10.6f %-10.6f %-10.6f %-10.6f %-10.6f %-10.6f\n", lig_atom_id, r.x, r.y, r.z, force.x, force.y, force.z);
 			#endif
 

device/kernel_gradient.cl

@@ -443,9 +443,9 @@ gradient_minimizer(
 				if (i == 0) {
 					printf("\n%s\n", "----------------------------------------------------------");
 					printf("%s\n", "Coordinates calculated by calcgradient.cl");
-					printf("%-12s %-12s %-12s %-12s\n", "atom_id", "coords.x", "coords.y", "coords.z");
+					printf("%12s %12s %12s %12s\n", "atom_id", "coords.x", "coords.y", "coords.z");
 				}
-				printf("%-12u %-12.6f %-12.6f %-12.6f\n", i, calc_coords_x[i], calc_coords_y[i], calc_coords_z[i]);
+				printf("%12u %12.6f %12.6f %12.6f\n", i, calc_coords_x[i], calc_coords_y[i], calc_coords_z[i]);
 			}
 			printf("\n");
 		}
@@ -537,9 +537,9 @@ gradient_minimizer(
 			for(uint i = 0; i < dockpars_num_of_genes; i++) {
 				if (i == 0) {
 					printf("\n%s\n", "----------------------------------------------------------");
-					printf("%-12s %-12s %-12s\n", "gene_id", "gene.value", "gene.gradient");
+					printf("%13s %13s %13s\n", "gene_id", "gene.value", "gene.grad");
 				}
-				printf("%-12u %-12.6f %-12.6f\n", i, genotype[i], gradient[i]);
+				printf("%13u %13.6f %13.6f\n", i, genotype[i], gradient[i]);
 			}
 
 #if 0
@@ -551,9 +551,9 @@ gradient_minimizer(
 				if (i == 0) {
 					printf("\n%s\n", "----------------------------------------------------------");
 					printf("%s\n", "Coordinates calculated by calcenergy.cl");
-					printf("%-12s %-12s %-12s %-12s\n", "atom_id", "coords.x", "coords.y", "coords.z");
+					printf("%12s %12s %12s %12s\n", "atom_id", "coords.x", "coords.y", "coords.z");
 				}
-				printf("%-12u %-12.6f %-12.6f %-12.6f\n", i, calc_coords_x[i], calc_coords_y[i], calc_coords_z[i]);
+				printf("%12u %12.6f %12.6f %12.6f\n", i, calc_coords_x[i], calc_coords_y[i], calc_coords_z[i]);
 			}
 			printf("\n");
 		}