1c 2c 3c ################################################### 4c ## COPYRIGHT (C) 1992 by Jay William Ponder ## 5c ## All Rights Reserved ## 6c ################################################### 7c 8c ############################################################ 9c ## ## 10c ## module cell -- replicated cell periodic boundaries ## 11c ## ## 12c ############################################################ 13c 14c 15c ncell total number of cell replicates for periodic boundaries 16c icell offset along axes for each replicate periodic cell 17c xcell length of the a-axis of the complete replicated cell 18c ycell length of the b-axis of the complete replicated cell 19c zcell length of the c-axis of the complete replicated cell 20c xcell2 half the length of the a-axis of the replicated cell 21c ycell2 half the length of the b-axis of the replicated cell 22c zcell2 half the length of the c-axis of the replicated cell 23c 24c 25 module cell 26 implicit none 27 integer ncell 28 integer, allocatable :: icell(:,:) 29 real*8 xcell 30 real*8 ycell 31 real*8 zcell 32 real*8 xcell2 33 real*8 ycell2 34 real*8 zcell2 35 save 36 end 37