X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-NEWSC%2Frmdd.f;fp=source%2Funres%2Fsrc_MD-NEWSC%2Frmdd.f;h=799ab47a2a76472f721a731696c70b46f4e74bbd;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git

diff --git a/source/unres/src_MD-NEWSC/rmdd.f b/source/unres/src_MD-NEWSC/rmdd.f
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+c     algorithm 611, collected algorithms from acm.
+c     algorithm appeared in acm-trans. math. software, vol.9, no. 4,
+c     dec., 1983, p. 503-524.
+      integer function imdcon(k)
+c
+      integer k
+c
+c  ***  return integer machine-dependent constants  ***
+c
+c     ***  k = 1 means return standard output unit number.   ***
+c     ***  k = 2 means return alternate output unit number.  ***
+c     ***  k = 3 means return  input unit number.            ***
+c          (note -- k = 2, 3 are used only by test programs.)
+c
+c  +++  port version follows...
+c     external i1mach
+c     integer i1mach
+c     integer mdperm(3)
+c     data mdperm(1)/2/, mdperm(2)/4/, mdperm(3)/1/
+c     imdcon = i1mach(mdperm(k))
+c  +++  end of port version  +++
+c
+c  +++  non-port version follows...
+      integer mdcon(3)
+      data mdcon(1)/6/, mdcon(2)/8/, mdcon(3)/5/
+      imdcon = mdcon(k)
+c  +++  end of non-port version  +++
+c
+ 999  return
+c  ***  last card of imdcon follows  ***
+      end
+      double precision function rmdcon(k)
+c
+c  ***  return machine dependent constants used by nl2sol  ***
+c
+c +++  comments below contain data statements for various machines.  +++
+c +++  to convert to another machine, place a c in column 1 of the   +++
+c +++  data statement line(s) that correspond to the current machine +++
+c +++  and remove the c from column 1 of the data statement line(s)  +++
+c +++  that correspond to the new machine.                           +++
+c
+      integer k
+c
+c  ***  the constant returned depends on k...
+c
+c  ***        k = 1... smallest pos. eta such that -eta exists.
+c  ***        k = 2... square root of eta.
+c  ***        k = 3... unit roundoff = smallest pos. no. machep such
+c  ***                 that 1 + machep .gt. 1 .and. 1 - machep .lt. 1.
+c  ***        k = 4... square root of machep.
+c  ***        k = 5... square root of big (see k = 6).
+c  ***        k = 6... largest machine no. big such that -big exists.
+c
+      double precision big, eta, machep
+      integer bigi(4), etai(4), machei(4)
+c/+
+      double precision dsqrt
+c/
+      equivalence (big,bigi(1)), (eta,etai(1)), (machep,machei(1))
+c
+c  +++  ibm 360, ibm 370, or xerox  +++
+c
+c     data big/z7fffffffffffffff/, eta/z0010000000000000/,
+c    1     machep/z3410000000000000/
+c
+c  +++  data general  +++
+c
+c     data big/0.7237005577d+76/, eta/0.5397605347d-78/,
+c    1     machep/2.22044605d-16/
+c
+c  +++  dec 11  +++
+c
+c     data big/1.7d+38/, eta/2.938735878d-39/, machep/2.775557562d-17/
+c
+c  +++  hp3000  +++
+c
+c     data big/1.157920892d+77/, eta/8.636168556d-78/,
+c    1     machep/5.551115124d-17/
+c
+c  +++  honeywell  +++
+c
+c     data big/1.69d+38/, eta/5.9d-39/, machep/2.1680435d-19/
+c
+c  +++  dec10  +++
+c
+c     data big/"377777100000000000000000/,
+c    1     eta/"002400400000000000000000/,
+c    2     machep/"104400000000000000000000/
+c
+c  +++  burroughs  +++
+c
+c     data big/o0777777777777777,o7777777777777777/,
+c    1     eta/o1771000000000000,o7770000000000000/,
+c    2     machep/o1451000000000000,o0000000000000000/
+c
+c  +++  control data  +++
+c
+c     data big/37767777777777777777b,37167777777777777777b/,
+c    1     eta/00014000000000000000b,00000000000000000000b/,
+c    2     machep/15614000000000000000b,15010000000000000000b/
+c
+c  +++  prime  +++
+c
+c     data big/1.0d+9786/, eta/1.0d-9860/, machep/1.4210855d-14/
+c
+c  +++  univac  +++
+c
+c     data big/8.988d+307/, eta/1.2d-308/, machep/1.734723476d-18/
+c
+c  +++  vax  +++
+c
+      data big/1.7d+38/, eta/2.939d-39/, machep/1.3877788d-17/
+c
+c  +++  cray 1  +++
+c
+c     data bigi(1)/577767777777777777777b/,
+c    1     bigi(2)/000007777777777777776b/,
+c    2     etai(1)/200004000000000000000b/,
+c    3     etai(2)/000000000000000000000b/,
+c    4     machei(1)/377224000000000000000b/,
+c    5     machei(2)/000000000000000000000b/
+c
+c  +++  port library -- requires more than just a data statement... +++
+c
+c     external d1mach
+c     double precision d1mach, zero
+c     data big/0.d+0/, eta/0.d+0/, machep/0.d+0/, zero/0.d+0/
+c     if (big .gt. zero) go to 1
+c        big = d1mach(2)
+c        eta = d1mach(1)
+c        machep = d1mach(4)
+c1    continue
+c
+c  +++ end of port +++
+c
+c-------------------------------  body  --------------------------------
+c
+      go to (10, 20, 30, 40, 50, 60), k
+c
+ 10   rmdcon = eta
+      go to 999
+c
+ 20   rmdcon = dsqrt(256.d+0*eta)/16.d+0
+      go to 999
+c
+ 30   rmdcon = machep
+      go to 999
+c
+ 40   rmdcon = dsqrt(machep)
+      go to 999
+c
+ 50   rmdcon = dsqrt(big/256.d+0)*16.d+0
+      go to 999
+c
+ 60   rmdcon = big
+c
+ 999  return
+c  ***  last card of rmdcon follows  ***
+      end