Now works with Intel Fortran if you know the right incantations for linking.

examples/HelloArgonInFortran.f90

@@ -21,7 +21,7 @@ PROGRAM HelloArgon
     type(OpenMM_State)            state
     type(OpenMM_String)           dirName
     real*8                        timeInPs
-    integer                       a, frameNum
+    integer*4                     a, ix, frameNum
     character*10                  platformName
 
     ! Load any shared libraries containing GPU implementations.
@@ -46,7 +46,7 @@ PROGRAM HelloArgon
         call OpenMM_System_addParticle(system, 39.95d0) !mass of Ar, grams/mole
 
         ! charge, L-J sigma (nm), well depth (kJ) (vdWRad(Ar)=.188 nm)
-        call OpenMM_NonbondedForce_addParticle(nonbond, 0d0, 0.3350d0, 0.996d0)
+        ix = OpenMM_NonbondedForce_addParticle(nonbond, 0d0, 0.3350d0, 0.996d0)
     end do
 
     ! Create particular integrator, and recast to generic one.

examples/HelloSodiumChlorideInFortran.f90

@@ -183,7 +183,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
     type(OpenMM_Vec3Array)      initialPosInNm
     type(OpenMM_NonbondedForce) nonbond
     type(OpenMM_GBSAOBCForce)   gbsa
-    integer n
+    integer*4 n, ix
 
     type(OpenMM_String) dir
 
@@ -218,7 +218,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
     do n=1,NumAtoms
         call OpenMM_System_addParticle(system, atoms(n)%mass)
     
-        call OpenMM_NonbondedForce_addParticle(nonbond,                 &
+        ix = OpenMM_NonbondedForce_addParticle(nonbond,                 &
                 atoms(n)%charge,                                        &
                 atoms(n)%vdwRadiusInAng  * OpenMM_NmPerAngstrom         &
                                          * OpenMM_SigmaPerVdwRadius,    &

examples/HelloWaterBox.cpp

@@ -269,7 +269,7 @@ myInitializeOpenMM( int                 numWatersAlongEdge,
     std::vector<Vec3>                   initialPosInNm;
     std::vector< std::pair<int,int> >   bondPairs;
     
-    // Add water molecules one at a time in the 10x10x10 cubic lattice
+    // Add water molecules one at a time in the NxNxN cubic lattice
     for (int latticeX = 0; latticeX < numWatersAlongEdge; ++latticeX)
     for (int latticeY = 0; latticeY < numWatersAlongEdge; ++latticeY)
     for (int latticeZ = 0; latticeZ < numWatersAlongEdge; ++latticeZ)

examples/OpenMM_CWrapper.h

@@ -167,10 +167,25 @@ extern const char* OpenMM_Platform_getDefaultPluginsDirectory();
 
 /* OpenMM::System */
 extern OpenMM_System* OpenMM_System_create();
-extern void OpenMM_System_destroy (OpenMM_System*);
-extern void OpenMM_System_addForce(OpenMM_System*, OpenMM_Force*);
-extern void OpenMM_System_addParticle(OpenMM_System*, double mass);
+extern void           OpenMM_System_destroy (OpenMM_System*);
 
+extern int    OpenMM_System_addParticle(OpenMM_System*, double mass);
+extern void   OpenMM_System_setParticleMass(OpenMM_System*, int ix, double mass);
+extern double OpenMM_System_getParticleMass(const OpenMM_System*, int ix);
+
+extern int  OpenMM_System_addConstraint(OpenMM_System*, int p1, int p2, double distance);
+extern void OpenMM_System_setConstraintParameters(OpenMM_System*, int ix, 
+                                                  int p1, int p2, double distance);
+extern void OpenMM_System_getConstraintParameters(const OpenMM_System*, int ix, 
+                                                  int* p1, int* p2, double* distance);
+
+extern int                 OpenMM_System_addForce(OpenMM_System*, OpenMM_Force*);
+extern OpenMM_Force*       OpenMM_System_updForce(OpenMM_System*, int ix);
+extern const OpenMM_Force* OpenMM_System_getForce(const OpenMM_System*, int ix);
+
+extern int OpenMM_System_getNumParticles(const OpenMM_System*);
+extern int OpenMM_System_getNumConstraints(const OpenMM_System*);
+extern int OpenMM_System_getNumForces(const OpenMM_System*);
 
 /* OpenMM::NonbondedForce */
 extern OpenMM_NonbondedForce* OpenMM_NonbondedForce_create();

examples/OpenMM_Module.f90

@@ -25,7 +25,7 @@
 ! pointers to deal with these objects; they get created by the API
 ! for you and you just pass them back to the API when you want to
 ! do something with them.
-module OpenMM_Types
+MODULE OpenMM_Types
     implicit none
 
     ! The System, Integrator, and Context must persist between calls.
@@ -732,4 +732,4 @@ module OpenMM
         end
 
     end interface
-end module OpenMM
+END MODULE OpenMM