Initial revision

difrac/sgmtml.f

@@ -0,0 +1,24 @@
+C-----------------------------------------------------------------------
+C  4*4 matrix multiply for the space group routine
+C-----------------------------------------------------------------------
+      SUBROUTINE SGMTML (X,I,Y,J,Z,K)
+      DIMENSION X(5,4,24),Y(5,4,24),Z(5,4,24)
+        DO 100 L = 1,4
+          DO 100 M = 1,4
+          Z(L,M,K) = 0.0
+            DO 100 N = 1,4
+            Z(L,M,K) = Z(L,M,K) + Y(L,N,J)*X(N,M,I)
+  100       CONTINUE
+      Z(1,4,K) = AMOD(5.0 + Z(1,4,K),1.0)
+      Z(2,4,K) = AMOD(5.0 + Z(2,4,K),1.0)
+      Z(3,4,K) = AMOD(5.0 + Z(3,4,K),1.0)
+      Z(5,1,K) =  81*(2*Z(1,1,K) +   3*Z(1,2,K) +  4*Z(1,3,K)) +
+     $             9*(2*Z(2,1,K) +   3*Z(2,2,K) +  4*Z(2,3,K)) +
+     $                2*Z(3,1,K) +   3*Z(3,2,K) +  4*Z(3,3,K)
+      Z(5,2,K) =   1728*Z(1,4,K) + 144*Z(2,4,K) + 12*Z(3,4,K)
+      Z(5,3,K) = 0.0
+      Z(5,4,K) = 0.0
+      CONTINUE
+      RETURN
+      END
+