ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/branches/new_design/OOPSE-4/src/UseTheForce/DarkSide/simulation.F90
(Generate patch)

Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/simulation.F90 (file contents):
Revision 1609 by gezelter, Wed Oct 20 04:12:01 2004 UTC vs.
Revision 1633 by gezelter, Fri Oct 22 20:22:48 2004 UTC

# Line 49 | Line 49 | module simulation
49    public :: setBox
50    public :: getDielect
51    public :: SimUsesPBC
52 <  public :: SimUsesLJ
52 >
53 >  public :: SimUsesDirectionalAtoms
54 >  public :: SimUsesLennardJones
55 >  public :: SimUsesElectrostatics
56    public :: SimUsesCharges
57    public :: SimUsesDipoles
58    public :: SimUsesSticky
59 <  public :: SimUsesRF
57 <  public :: SimUsesGB
59 >  public :: SimUsesGayBerne
60    public :: SimUsesEAM
61 +  public :: SimUsesShapes
62 +  public :: SimUsesFLARB
63 +  public :: SimUsesRF
64    public :: SimRequiresPrepairCalc
65    public :: SimRequiresPostpairCalc
66 <  public :: SimUsesDirectionalAtoms
66 >
67    
68   contains
69    
# Line 440 | Line 445 | contains
445      doesit = thisSim%SIM_uses_PBC
446    end function SimUsesPBC
447  
448 <  function SimUsesLJ() result(doesit)
448 >  function SimUsesDirectionalAtoms() result(doesit)
449      logical :: doesit
450 <    doesit = thisSim%SIM_uses_LJ
451 <  end function SimUsesLJ
452 <
453 <  function SimUsesSticky() result(doesit)
450 >    doesit = thisSim%SIM_uses_dipoles .or. thisSim%SIM_uses_sticky .or. &
451 >         thisSim%SIM_uses_GayBerne .or. thisSim%SIM_uses_Shapes
452 >  end function SimUsesDirectionalAtoms
453 >
454 >  function SimUsesLennardJones() result(doesit)
455      logical :: doesit
456 <    doesit = thisSim%SIM_uses_sticky
457 <  end function SimUsesSticky
456 >    doesit = thisSim%SIM_uses_LennardJones
457 >  end function SimUsesLennardJones
458  
459 +  function SimUsesElectrostatics() result(doesit)
460 +    logical :: doesit
461 +    doesit = thisSim%SIM_uses_Electrostatics
462 +  end function SimUsesElectrostatics
463 +
464    function SimUsesCharges() result(doesit)
465      logical :: doesit
466 <    doesit = thisSim%SIM_uses_charges
466 >    doesit = thisSim%SIM_uses_Charges
467    end function SimUsesCharges
468  
469    function SimUsesDipoles() result(doesit)
470      logical :: doesit
471 <    doesit = thisSim%SIM_uses_dipoles
471 >    doesit = thisSim%SIM_uses_Dipoles
472    end function SimUsesDipoles
473  
474 <  function SimUsesRF() result(doesit)
474 >  function SimUsesSticky() result(doesit)
475      logical :: doesit
476 <    doesit = thisSim%SIM_uses_RF
477 <  end function SimUsesRF
476 >    doesit = thisSim%SIM_uses_Sticky
477 >  end function SimUsesSticky
478  
479 <  function SimUsesGB() result(doesit)
479 >  function SimUsesGayBerne() result(doesit)
480      logical :: doesit
481 <    doesit = thisSim%SIM_uses_GB
482 <  end function SimUsesGB
483 <
481 >    doesit = thisSim%SIM_uses_GayBerne
482 >  end function SimUsesGayBerne
483 >  
484    function SimUsesEAM() result(doesit)
485      logical :: doesit
486      doesit = thisSim%SIM_uses_EAM
487    end function SimUsesEAM
488  
489 <  function SimUsesDirectionalAtoms() result(doesit)
489 >  function SimUsesShapes() result(doesit)
490      logical :: doesit
491 <    doesit = thisSim%SIM_uses_dipoles .or. thisSim%SIM_uses_sticky .or. &
492 <         thisSim%SIM_uses_GB .or. thisSim%SIM_uses_RF
482 <  end function SimUsesDirectionalAtoms
491 >    doesit = thisSim%SIM_uses_Shapes
492 >  end function SimUsesShapes
493  
494 +  function SimUsesFLARB() result(doesit)
495 +    logical :: doesit
496 +    doesit = thisSim%SIM_uses_FLARB
497 +  end function SimUsesFLARB
498 +
499 +  function SimUsesRF() result(doesit)
500 +    logical :: doesit
501 +    doesit = thisSim%SIM_uses_RF
502 +  end function SimUsesRF
503 +
504    function SimRequiresPrepairCalc() result(doesit)
505      logical :: doesit
506      doesit = thisSim%SIM_uses_EAM

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines