1 subroutine hf_print(msg,xyz,prims,coefs,npa,nca,la) 2c $Id$ 3 implicit none 4c 5 character*(*) msg ! info to print 6 integer npa ! number of primitives 7 integer nca ! number of general contractions 8 integer la ! type of basis function 9c 10 double precision xyz(3) ! coordinates 11 double precision prims(npa) ! exponents 12 double precision coefs(npa,nca) ! coefs 13c 14 integer hfprintit 15 common /hfprtc/ hfprintit 16c 17 integer i,j 18c 19 if (hfprintit.eq.0) return 20c 21 write(6,10000) 22 write(6,'(a)')msg 23 write(6,10000) 24c 25 write(6,10001)xyz 26 write(6,'(a,i12,a,i12,a,i12,a)') 27 & ' <type:',la,'> <npx:',npa,'> <ncx:',nca,'>' 28 write(6,*)' exponents | coefficients ' 29 do 00100 i=1,(min(npa,100)) 30 write(6,10002)i,prims(i),' | ',(coefs(i,j),j=1,nca) 3100100 continue 32c 33 write(6,10000) 34c 3510000 format(80('=')) 3610001 format(' <x:',1pd12.4,'> <y:',1pd12.4,'> <z:',1pd12.4,'>') 3710002 format(1x,i3,1pd14.6,a,1pd14.6,1pd14.6,1pd14.6,1pd14.6, 38 & 1pd14.6,1pd14.6,1pd14.6,1pd14.6,1pd14.6,1pd14.6) 39 end 40 subroutine hf_print_set(value) 41 implicit none 42c 43 integer hfprintit 44 common /hfprtc/ hfprintit 45c 46 integer value 47c 48 hfprintit = value 49 end 50 51 52 53