- Timestamp:
- 11/19/09 11:29:41 (14 years ago)
- Branches:
- master
- Children:
- 38d77eb
- Parents:
- 6650a56
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
regul.f
r6650a56 r32289cd 4 4 ! 5 5 ! Copyright 2003-2005 Frank Eisenmenger, U.H.E. Hansmann, 6 ! Shura Hayryan, Chin-Ku 6 ! Shura Hayryan, Chin-Ku 7 7 ! Copyright 2007 Frank Eisenmenger, U.H.E. Hansmann, 8 8 ! Jan H. Meinke, Sandipan Mohanty … … 10 10 ! ************************************************************** 11 11 12 12 13 13 subroutine regul(nml, iter, nsteps, acc) 14 14 … … 26 26 include 'INCL.H' 27 27 include 'INCP.H' 28 28 29 29 !f2py intent(in) nml 30 30 !f2py intent(in) iter 31 31 !f2py intent(in) nsteps 32 32 !f2py intent(in) acc 33 34 double precision acc, rm, av1, av2, rmsd, dn 35 36 integer nsteps, nml, nrs, i, n, iter, it 33 37 34 38 dimension rm(3,3),av1(3),av2(3) … … 60 64 61 65 62 do i = ivrml1(nml),nvrml(nml) 66 do i = ivrml1(nml),nvrml(nml) 63 67 fxvro(i) = fxvr(i) ! save 64 68 if (isrfvr(i)) fxvr(i) = .true. ! fix vars. defined in ref.str. … … 77 81 call cnteny(nml) 78 82 79 do i = ivrml1(nml),nvrml(nml) 83 do i = ivrml1(nml),nvrml(nml) 80 84 fxvr(i) = fxvro(i) ! restore 81 85 enddo ! vars. … … 86 90 wtey = 0.d0 87 91 88 n=iter 92 n=iter 89 93 dn=1.d0/dble(n) 90 94
Note:
See TracChangeset
for help on using the changeset viewer.