C----------------------------------------------------------------------- C Decide on the crystal system based on the cell edges and angles C----------------------------------------------------------------------- SUBROUTINE ANGSYS (ABC,SANG,CANG,ISYS) DIMENSION ABC(3),SANG(3),CANG(3),ANG(3) EQUIVALENCE (ABC(1),A), (ABC(2),B), (ABC(3),C), $ (ANG(1),AL),(ANG(2),BE),(ANG(3),GA) DATA RA/57.2958/,TAN/0.1/,TED/0.01/ C----------------------------------------------------------------------- C Make the angles from their sines and cosines C----------------------------------------------------------------------- DO 100 I = 1,3 ANG(I) = RA*ATAN2(SANG(I),CANG(I)) 100 CONTINUE ISYS = 0 IF (AMOD(AL - BE) .GT. TAN) THEN C----------------------------------------------------------------------- C Monoclinic or triclinic ? C----------------------------------------------------------------------- IF (AMOD(AL - GA) .GT. TAN) THEN C----------------------------------------------------------------------- C Triclinic C----------------------------------------------------------------------- ISYS = 1 ELSE C----------------------------------------------------------------------- C Monoclinic C----------------------------------------------------------------------- ISYS = 2 ENDIF ELSE C----------------------------------------------------------------------- C Cubic, rhombohedral, hexagonal, tetragonal, or orthorhombic C----------------------------------------------------------------------- IF (AMOD(AL - GA) .GT. TAN) THEN C----------------------------------------------------------------------- C Hexagonal C----------------------------------------------------------------------- ISYS = 5 ELSE IF(AMOD(AL - 90.0) .GT. TAN) THEN C----------------------------------------------------------------------- C Rhombohedral C----------------------------------------------------------------------- ISYS = 6 ELSE IF (AMOD(A - B) .GT. TED) THEN C----------------------------------------------------------------------- C Orthorhombic C----------------------------------------------------------------------- ISYS = 3 ELSE IF (AMOD(B - C) .GT. TED) THEN C----------------------------------------------------------------------- C Tetragonal C----------------------------------------------------------------------- ISYS = 4 C----------------------------------------------------------------------- C Cubic C----------------------------------------------------------------------- ELSE ISYS = 7 ENDIF ENDIF ENDIF ENDIF ENDIF C----------------------------------------------------------------------- C Just in case !! C----------------------------------------------------------------------- IF (ISYS .EQ. 0) ISYS = 1 RETURN END