X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Fshift.F;fp=source%2Funres%2Fsrc_CSA_DiL%2Fshift.F;h=0000000000000000000000000000000000000000;hp=6eb9b3f610a2ef5352b4bf5a596414d586e3dfff;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/source/unres/src_CSA_DiL/shift.F b/source/unres/src_CSA_DiL/shift.F deleted file mode 100644 index 6eb9b3f..0000000 --- a/source/unres/src_CSA_DiL/shift.F +++ /dev/null @@ -1,105 +0,0 @@ -c--------------------------------- - subroutine csa_read - implicit real*8 (a-h,o-z) - include 'DIMENSIONS' - include 'COMMON.CSA' - include 'COMMON.BANK' - include 'COMMON.IOUNITS' - - open(icsa_in,file=csa_in,status="old",err=100) - read(icsa_in,*) nconf - read(icsa_in,*) jstart,jend - read(icsa_in,*) nstmax - read(icsa_in,*) n1,n2,n3,n4,n5,n6,n7,n8,is1,is2 - read(icsa_in,*) nran0,nran1,irr - read(icsa_in,*) nseed - read(icsa_in,*) ntotal,cut1,cut2 - read(icsa_in,*) estop - read(icsa_in,*) icmax,irestart - read(icsa_in,*) ntbankm,dele,difcut - read(icsa_in,*) iref,rmscut,pnccut - read(icsa_in,*) ndiff - close(icsa_in) - - return - - 100 continue - return - end -c--------------------------------- - subroutine initial_write - implicit real*8 (a-h,o-z) - include 'DIMENSIONS' - include 'COMMON.CSA' - include 'COMMON.BANK' - include 'COMMON.IOUNITS' - - open(icsa_seed,file=csa_seed,status="unknown") - write(icsa_seed,*) "seed" - close(31) -#if defined(AIX) || defined(PGI) - open(icsa_history,file=csa_history,status="unknown", - & position="append") -#else - open(icsa_history,file=csa_history,status="unknown", - & access="append") -#endif - write(icsa_history,*) nconf - write(icsa_history,*) jstart,jend - write(icsa_history,*) nstmax - write(icsa_history,*) n1,n2,n3,n4,n5,n6,n7,n8,is1,is2 - write(icsa_history,*) nran0,nran1,irr - write(icsa_history,*) nseed - write(icsa_history,*) ntotal,cut1,cut2 - write(icsa_history,*) estop - write(icsa_history,*) icmax,irestart - write(icsa_history,*) ntbankm,dele,difcut - write(icsa_history,*) iref,rmscut,pnccut - write(icsa_history,*) ndiff - - write(icsa_history,*) - close(icsa_history) - - open(icsa_bank1,file=csa_bank1,status="unknown") - write(icsa_bank1,*) 0 - close(icsa_bank1) - - return - end -c--------------------------------- - subroutine restart_write - implicit real*8 (a-h,o-z) - include 'DIMENSIONS' - include 'COMMON.IOUNITS' - include 'COMMON.CSA' - include 'COMMON.BANK' - -#if defined(AIX) || defined(PGI) - open(icsa_history,file=csa_history,position="append") -#else - open(icsa_history,file=csa_history,access="append") -#endif - write(icsa_history,*) - write(icsa_history,*) "This is restart" - write(icsa_history,*) - write(icsa_history,*) nconf - write(icsa_history,*) jstart,jend - write(icsa_history,*) nstmax - write(icsa_history,*) n1,n2,n3,n4,n5,n6,n7,n8,is1,is2 - write(icsa_history,*) nran0,nran1,irr - write(icsa_history,*) nseed - write(icsa_history,*) ntotal,cut1,cut2 - write(icsa_history,*) estop - write(icsa_history,*) icmax,irestart - write(icsa_history,*) ntbankm,dele,difcut - write(icsa_history,*) iref,rmscut,pnccut - write(icsa_history,*) ndiff - write(icsa_history,*) - write(icsa_history,*) "irestart is: ", irestart - - write(icsa_history,*) - close(icsa_history) - - return - end -c---------------------------------