Fortran Module now has bonded interface and more complete nonbond interface (untested).

examples/OpenMM_Module.f90

@@ -55,6 +55,9 @@ module OpenMM_Types
     type OpenMM_Vec3Array
         character, pointer :: handle => NULL()
     end type
+    type OpenMM_BondArray
+        character, pointer :: handle => NULL()
+    end type
     type OpenMM_String
         character, pointer :: handle => NULL()
     end type
@@ -68,6 +71,15 @@ module OpenMM_Types
     type OpenMM_GBSAOBCForce
         character, pointer :: handle => NULL()
     end type
+    type OpenMM_HarmonicBondForce
+        character, pointer :: handle => NULL()
+    end type
+    type OpenMM_HarmonicAngleForce
+        character, pointer :: handle => NULL()
+    end type
+    type OpenMM_PeriodicTorsionForce
+        character, pointer :: handle => NULL()
+    end type
     type OpenMM_VerletIntegrator
         character, pointer :: handle => NULL()
     end type
@@ -103,56 +115,61 @@ module OpenMM_Types
 end module OpenMM_Types
 
 module OpenMM
-    use OpenMM_Types
+    use OpenMM_Types; implicit none
     interface
+        ! -------------------------
+        ! OpenMM::Vec3Array
+        ! -------------------------
         ! OpenMM_Vec3Array is an interface to the std::vector<Vec3>
         ! arrays used in various contexts by OpenMM. It is not the
         ! same as a Fortran array of Vec3s would be.
+        ! You can create this with zero elements and then 
+        ! append to it and it will grow as needed.
         subroutine OpenMM_Vec3Array_create(array, n)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             integer*4 n
         end
         function OpenMM_Vec3Array_size(array)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             integer*4 OpenMM_Vec3Array_size
             type (OpenMM_Vec3Array) array
         end
         subroutine OpenMM_Vec3Array_resize(array, n)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             integer*4 n
         end
         subroutine OpenMM_Vec3Array_destroy(array)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
         end
         subroutine OpenMM_Vec3Array_append(array, v3)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             real*8 v3(3)
         end
         subroutine OpenMM_Vec3Array_get(array, i, v3)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             integer*4 i
             real*8, intent(out) :: v3(3)
         end
         subroutine OpenMM_Vec3Array_getScaled(array, i, s, v3)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             integer*4 i
             real*8    s
             real*8, intent(out) :: v3(3)
         end
         subroutine OpenMM_Vec3Array_set(array, i, v3)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             integer*4 i
             real*8, intent(in) :: v3(3)
         end
         subroutine OpenMM_Vec3Array_setScaled(array, i, v3, s)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Vec3Array) array
             integer*4 i
             real*8, intent(in) :: v3(3)
@@ -164,288 +181,552 @@ module OpenMM
             real*8, intent(out) :: v3out(3)
         end
 
+        ! -------------------------
+        ! OpenMM::BondArray
+        ! -------------------------
+        ! OpenMM_BondArray is an interface to the
+        ! std::vector<std::pair<int,int>> arrays used for
+        ! bond lists by OpenMM. It is not the
+        ! same as a Fortran array of integer(2)'s would be.
+        ! You can create this with zero elements and then 
+        ! append to it and it will grow as needed.
+        subroutine OpenMM_BondArray_create(array, n)
+            use OpenMM_Types; implicit none
+            type (OpenMM_BondArray) array
+            integer*4 n
+        end
+        function OpenMM_BondArray_size(array)
+            use OpenMM_Types; implicit none
+            integer*4 OpenMM_BondArray_size
+            type (OpenMM_BondArray) array
+        end
+        subroutine OpenMM_BondArray_resize(array, n)
+            use OpenMM_Types; implicit none
+            type (OpenMM_BondArray) array
+            integer*4 n
+        end
+        subroutine OpenMM_BondArray_destroy(array)
+            use OpenMM_Types; implicit none
+            type (OpenMM_BondArray) array
+        end
+        subroutine OpenMM_BondArray_append(array, p1, p2)
+            use OpenMM_Types; implicit none
+            type (OpenMM_BondArray) array
+            integer*4 p1, p2
+        end
+        subroutine OpenMM_BondArray_get(array, i, p1, p2)
+            use OpenMM_Types; implicit none
+            type (OpenMM_BondArray) array
+            integer*4 i
+            integer*4 p1, p2
+        end
+        subroutine OpenMM_BondArray_set(array, i, p1, p2)
+            use OpenMM_Types; implicit none
+            type (OpenMM_BondArray) array
+            integer*4 i
+            integer*4 p1, p2
+        end
+
+        ! -------------------------
+        ! OpenMM::String
+        ! -------------------------
         ! OpenMM_String is an interface to std::string, with some
         ! crude ability to copy from and out to fixed-size Fortran
         ! character arrays (with blank padding).
         subroutine OpenMM_String_create(string, initVal)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_String) string
             character(*) initVal
         end
         subroutine OpenMM_String_destroy(string)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_String) string
         end
         function OpenMM_String_length(string)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             integer*4 OpenMM_String_length
             type (OpenMM_String) string
         end
         subroutine OpenMM_String_get(string, fstring)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_String) string
             character(*) fstring
         end
         subroutine OpenMM_String_set(string, fstring)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_String) string
             character(*) fstring
         end
         
 
+        ! -------------------------
         ! OpenMM::Platform
+        ! -------------------------
         subroutine OpenMM_Platform_loadPluginsFromDirectory(dirName)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_String) dirName
         end
         subroutine OpenMM_Platform_getDefaultPluginsDirectory(dirName)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_String) dirName
         end
 
+        ! -------------------------
         ! OpenMM::System
+        ! -------------------------
         subroutine OpenMM_System_create(system)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_System) system
         end
         subroutine OpenMM_System_destroy(system)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_System) system
         end
         subroutine OpenMM_System_addForce(system, force)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_System) system
             type (OpenMM_Force) force
         end
         subroutine OpenMM_System_addParticle(system, mass)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_System) system
             real*8 mass
         end
   
+        ! -------------------------
         ! OpenMM::NonbondedForce
+        ! -------------------------
         subroutine OpenMM_NonbondedForce_create(nonbond)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
         end
         subroutine OpenMM_NonbondedForce_destroy(nonbond)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
         end
         subroutine OpenMM_NonbondedForce_asForce(nonbond, force)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
             type (OpenMM_Force)          force
         end
         subroutine OpenMM_NonbondedForce_setNonbondedMethod(nonbond, method)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
             integer*4 method
         end
+        function OpenMM_NonbondedForce_getNonbondedMethod(nonbond)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 OpenMM_NonbondedForce_getNonbondedMethod
+        end
         subroutine OpenMM_NonbondedForce_setCutoffDistance(nonbond, distanceInNm)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
-            real*8 distanceInNm
+            real*8, intent(in) :: distanceInNm
+        end
+        function OpenMM_NonbondedForce_getCutoffDistance(nonbond)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            real*8 OpenMM_NonbondedForce_getCutoffDistance
         end
         subroutine OpenMM_NonbondedForce_setPeriodicBoxVectors(nonbond, a, b, c)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
             real*8 a(3), b(3), c(3)
         end
-        subroutine OpenMM_NonbondedForce_addParticle &
+        subroutine OpenMM_NonbondedForce_getPeriodicBoxVectors(nonbond, a, b, c)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            real*8 a(3), b(3), c(3)
+        end
+        function OpenMM_NonbondedForce_addParticle &
                             (nonbond, charge, sigmaInNm, vdwEnergyInKJ)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_NonbondedForce) nonbond
+            integer*4 OpenMM_NonbondedForce_addParticle
             real*8 charge, sigmaInNm, vdwEnergyInKJ
         end
+        subroutine OpenMM_NonbondedForce_setParticleParameters &
+                            (nonbond, ix, charge, sigmaInNm, vdwEnergyInKJ)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 ix
+            real*8 charge, sigmaInNm, vdwEnergyInKJ
+        end
+        subroutine OpenMM_NonbondedForce_getParticleParameters &
+                            (nonbond, ix, charge, sigmaInNm, vdwEnergyInKJ)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 ix
+            real*8 charge, sigmaInNm, vdwEnergyInKJ
+        end
+        function OpenMM_NonbondedForce_getNumParticles(nonbond)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 OpenMM_NonbondedForce_getNumParticles
+        end
+        function OpenMM_NonbondedForce_getNumExceptions(nonbond)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 OpenMM_NonbondedForce_getNumExceptions
+        end
+        function OpenMM_NonbondedForce_addException &
+                            (nonbond, p1, p2, chargeProd, sigmaInNm, vdwEnergyInKJ)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 OpenMM_NonbondedForce_addException
+            integer*4 p1, p2
+            real*8 chargeProd, sigmaInNm, vdwEnergyInKJ
+        end
+        subroutine OpenMM_NonbondedForce_setExceptionParameters &
+                            (nonbond, ix, p1, p2, chargeProd, sigmaInNm, vdwEnergyInKJ)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 ix, p1, p2
+            real*8 chargeProd, sigmaInNm, vdwEnergyInKJ
+        end
+        subroutine OpenMM_NonbondedForce_getExceptionParameters &
+                            (nonbond, ix, p1, p2, chargeProd, sigmaInNm, vdwEnergyInKJ)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            integer*4 ix, p1, p2
+            real*8 chargeProd, sigmaInNm, vdwEnergyInKJ
+        end
+        subroutine OpenMM_NonbondedForce_createExceptionsFromBonds &
+                            (nonbond, bonds, coulomb14Scale, lj14Scale)
+            use OpenMM_Types; implicit none
+            type (OpenMM_NonbondedForce) nonbond
+            type (OpenMM_BondArray) bonds
+            real*8 coulomb14Scale, lj14Scale
+        end
 
+        ! -------------------------
         ! OpenMM::GBSAOBCForce
+        ! -------------------------
         subroutine OpenMM_GBSAOBCForce_create(gbsa)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_GBSAOBCForce) gbsa
         end
         subroutine OpenMM_GBSAOBCForce_destroy(gbsa)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_GBSAOBCForce) gbsa
         end
         subroutine OpenMM_GBSAOBCForce_asForce(gbsa, force)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_GBSAOBCForce) gbsa
             type (OpenMM_Force)        force
         end
         subroutine OpenMM_GBSAOBCForce_setSolventDielectric(gbsa, d)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_GBSAOBCForce) gbsa
             real*8 d
         end
         subroutine OpenMM_GBSAOBCForce_setSoluteDielectric(gbsa, d)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_GBSAOBCForce) gbsa
             real*8 d
         end
         subroutine OpenMM_GBSAOBCForce_addParticle &
                             (gbsa, charge, radiusInNm, scalingFactor)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_GBSAOBCForce) gbsa
             real*8 charge, radiusInNm, scalingFactor
         end
 
+        ! -------------------------
+        ! OpenMM::HarmonicBondForce
+        ! -------------------------
+        subroutine OpenMM_HarmonicBondForce_create(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+        end
+        subroutine OpenMM_HarmonicBondForce_destroy(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+        end
+        subroutine OpenMM_HarmonicBondForce_asForce(hbf, force)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+            type (OpenMM_Force)             force
+        end
+        function OpenMM_HarmonicBondForce_getNumBonds(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+            integer*4 OpenMM_HarmonicBondForce_getNumBonds
+        end
+        function OpenMM_HarmonicBondForce_addBond(hbf, p1, p2, length, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+            integer*4 OpenMM_HarmonicBondForce_addBond
+            integer*4 p1, p2
+            real*8 length,k
+        end
+        subroutine OpenMM_HarmonicBondForce_setBondParameters(hbf, ix, p1, p2, length, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+            integer*4 ix, p1, p2
+            real*8 length,k
+        end
+        subroutine OpenMM_HarmonicBondForce_getBondParameters(hbf, ix, p1, p2, length, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicBondForce) hbf
+            integer*4 ix, p1, p2
+            real*8 length,k
+        end
+
+        ! --------------------------
+        ! OpenMM::HarmonicAngleForce
+        ! --------------------------
+        subroutine OpenMM_HarmonicAngleForce_create(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+        end
+        subroutine OpenMM_HarmonicAngleForce_destroy(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+        end
+        subroutine OpenMM_HarmonicAngleForce_asForce(hbf, force)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+            type (OpenMM_Force)             force
+        end
+        function OpenMM_HarmonicAngleForce_getNumAngles(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+            integer*4 OpenMM_HarmonicAngleForce_getNumAngles
+        end
+        function OpenMM_HarmonicAngleForce_addAngle(hbf, p1, p2, p3, angle, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+            integer*4 OpenMM_HarmonicAngleForce_addAngle
+            integer*4 p1, p2, p3
+            real*8 angle,k
+        end
+        subroutine OpenMM_HarmonicAngleForce_setAngleParameters &
+                (hbf, ix, p1, p2, p3, angle, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+            integer*4 ix, p1, p2, p3
+            real*8 angle,k
+        end
+        subroutine OpenMM_HarmonicAngleForce_getAngleParameters &
+                (hbf, ix, p1, p2, p3, angle, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_HarmonicAngleForce) hbf
+            integer*4 ix, p1, p2, p3
+            real*8 angle,k
+        end
+
+        ! ----------------------------
+        ! OpenMM::PeriodicTorsionForce
+        ! ----------------------------
+        subroutine OpenMM_PeriodicTorsionForce_create(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+        end
+        subroutine OpenMM_PeriodicTorsionForce_destroy(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+        end
+        subroutine OpenMM_PeriodicTorsionForce_asForce(hbf, force)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+            type (OpenMM_Force)                force
+        end
+        function OpenMM_PeriodicTorsionForce_getNumTorsions(hbf)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+            integer*4 OpenMM_PeriodicTorsionForce_getNumTorsions
+        end
+        function OpenMM_PeriodicTorsionForce_addTorsion &
+                (hbf, p1, p2, p3, p4, periodicity, phase, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+            integer*4 OpenMM_PeriodicTorsionForce_addTorsion
+            integer*4 p1, p2, p3, p4, periodicity
+            real*8 phase,k
+        end
+        subroutine OpenMM_PeriodicTorsionForce_setTorsionParameters &
+                (hbf, ix, p1, p2, p3, p4, periodicity, phase, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+            integer*4 ix, p1, p2, p3, p4, periodicity
+            real*8 phase,k
+        end
+        subroutine OpenMM_PeriodicTorsionForce_getTorsionParameters &
+                (hbf, ix, p1, p2, p3, p4, periodicity, phase, k)
+            use OpenMM_Types; implicit none
+            type (OpenMM_PeriodicTorsionForce) hbf
+            integer*4 ix, p1, p2, p3, p4, periodicity
+            real*8 phase,k
+        end
+
+        ! -------------------------
         ! OpenMM::Integrator
+        ! -------------------------
         subroutine OpenMM_Integrator_step(integrator, numSteps)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Integrator) integrator
             integer*4 numSteps
         end
         subroutine OpenMM_Integrator_destroy(integrator)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Integrator) integrator
         end
 
+        ! -------------------------
         ! OpenMM::VerletIntegrator
+        ! -------------------------
         subroutine OpenMM_VerletIntegrator_create(verlet, stepSzInPs)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_VerletIntegrator) verlet
             real*8 stepSzInPs
         end
         subroutine OpenMM_VerletIntegrator_destroy(verlet)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_VerletIntegrator) verlet
         end
         subroutine OpenMM_VerletIntegrator_asIntegrator(verlet, integ)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_VerletIntegrator) verlet
             type (OpenMM_Integrator)       integ
         end
         subroutine OpenMM_VerletIntegrator_step(verlet, numSteps)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_VerletIntegrator) verlet
             integer*4 numSteps
         end
 
+        ! -------------------------
         ! OpenMM::LangevinIntegrator
+        ! -------------------------
         subroutine OpenMM_LangevinIntegrator_create &
                             (langevin, temperature, frictionInPerPs, stepSzInPs)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_LangevinIntegrator) langevin
             real*8 temperature, frictionInPerPs, stepSzInPs
         end
         subroutine OpenMM_LangevinIntegrator_destroy(langevin)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_LangevinIntegrator) langevin
         end
         subroutine OpenMM_LangevinIntegrator_asIntegrator(langevin, integ)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_LangevinIntegrator) langevin
             type (OpenMM_Integrator)         integ
         end
         subroutine OpenMM_LangevinIntegrator_step(langevin, numSteps)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_LangevinIntegrator) langevin
             integer*4 numSteps
         end
 
+        ! -------------------------
         ! OpenMM::Context
+        ! -------------------------
         subroutine OpenMM_Context_create(context, system, integrator)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Context) context
             type (OpenMM_System) system
             type (OpenMM_Integrator) integrator
         end
         subroutine OpenMM_Context_destroy(context)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Context) context
         end
         subroutine OpenMM_Context_setPositions(context, positions)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Context) context
             type (OpenMM_Vec3Array) positions
         end
         subroutine OpenMM_Context_setVelocities(context, velocities)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Context) context
             type (OpenMM_Vec3Array) velocities
         end
         subroutine OpenMM_Context_createState(context, types, state)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Context) context
             integer*4 types
             type (OpenMM_State) state
         end
         subroutine OpenMM_Context_getPlatformName(context, platformName)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_Context) context
             character(*) platformName
         end
 
+        ! -------------------------
         ! OpenMM::State
+        ! -------------------------
         subroutine OpenMM_State_destroy(state)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_State) state
         end
         function OpenMM_State_getTime(state)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_State) state
             real*8 OpenMM_State_getTime
         end
         function OpenMM_State_getPotentialEnergy(state)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_State) state
             real*8 OpenMM_State_getPotentialEnergy
         end
         function OpenMM_State_getKineticEnergy(state)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_State) state
             real*8 OpenMM_State_getKineticEnergy
         end
         subroutine OpenMM_State_getPositions(state, positions)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_State) state
             type (OpenMM_Vec3Array) positions
         end
         subroutine OpenMM_State_getVelocities(state, velocities)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_State) state
             type (OpenMM_Vec3Array) velocities
         end
         subroutine OpenMM_RuntimeObjects_create(omm)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
         end
         subroutine OpenMM_RuntimeObjects_clear(omm)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
         end
         subroutine OpenMM_RuntimeObjects_destroy(omm)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
         end
         subroutine OpenMM_RuntimeObjects_setSystem(omm,sys)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
             type (OpenMM_System) sys
         end
         subroutine OpenMM_RuntimeObjects_setIntegrator(omm,integ)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
             type (OpenMM_Integrator) integ
         end
         subroutine OpenMM_RuntimeObjects_setContext(omm,context)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
             type (OpenMM_Context) context
         end
         subroutine OpenMM_RuntimeObjects_getSystem(omm,sys)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
             type (OpenMM_System) sys
         end
         subroutine OpenMM_RuntimeObjects_getIntegrator(omm,integ)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
             type (OpenMM_Integrator) integ
         end
         subroutine OpenMM_RuntimeObjects_getContext(omm,context)
-            use OpenMM_Types
+            use OpenMM_Types; implicit none
             type (OpenMM_RuntimeObjects) omm
             type (OpenMM_Context) context
         end