Commit 12dddb6f authored by Michael Sherman's avatar Michael Sherman
Browse files

Added a dummy argument to constructors in Fortran examples because Mark...

Added a dummy argument to constructors in Fortran examples because Mark Williamson's compiler didn't like them with no argument.
parent 3adfe31f
...@@ -35,7 +35,7 @@ PROGRAM HelloArgon ...@@ -35,7 +35,7 @@ PROGRAM HelloArgon
! to recast the specific NonbondedForce to a general Force.) ! to recast the specific NonbondedForce to a general Force.)
call OpenMM_System_create(system) call OpenMM_System_create(system)
call OpenMM_NonbondedForce_create(nonbond) call OpenMM_NonbondedForce_create(nonbond)
ix = OpenMM_System_addForce(system, transfer(nonbond, OpenMM_Force())) ix = OpenMM_System_addForce(system, transfer(nonbond, OpenMM_Force(0)))
! Create three atoms. ! Create three atoms.
call OpenMM_Vec3Array_create(initPosInNm, 3) call OpenMM_Vec3Array_create(initPosInNm, 3)
...@@ -54,7 +54,7 @@ PROGRAM HelloArgon ...@@ -54,7 +54,7 @@ PROGRAM HelloArgon
! Let OpenMM Context choose best platform. ! Let OpenMM Context choose best platform.
call OpenMM_Context_create(context, system, & call OpenMM_Context_create(context, system, &
transfer(verlet, OpenMM_Integrator())) transfer(verlet, OpenMM_Integrator(0)))
call OpenMM_Context_getPlatformName(context, platformName) call OpenMM_Context_getPlatformName(context, platformName)
print "('REMARK Using OpenMM platform ', A)", platformName print "('REMARK Using OpenMM platform ', A)", platformName
......
...@@ -202,8 +202,8 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName) ...@@ -202,8 +202,8 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
! Convert specific force types to generic OpenMM_Force so that we can ! Convert specific force types to generic OpenMM_Force so that we can
! add them to the OpenMM_System. ! add them to the OpenMM_System.
ix = OpenMM_System_addForce(system, transfer(nonbond, OpenMM_Force())) ix = OpenMM_System_addForce(system, transfer(nonbond, OpenMM_Force(0)))
ix = OpenMM_System_addForce(system, transfer(gbsa, OpenMM_Force())) ix = OpenMM_System_addForce(system, transfer(gbsa, OpenMM_Force(0)))
! Specify dielectrics for GBSA implicit solvation. ! Specify dielectrics for GBSA implicit solvation.
call OpenMM_GBSAOBCForce_setSolventDielectric(gbsa, SolventDielectric) call OpenMM_GBSAOBCForce_setSolventDielectric(gbsa, SolventDielectric)
...@@ -246,7 +246,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName) ...@@ -246,7 +246,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
! Convert LangevinIntegrator to generic Integrator type for this call. ! Convert LangevinIntegrator to generic Integrator type for this call.
call OpenMM_Context_create(context, system, & call OpenMM_Context_create(context, system, &
transfer(langevin, OpenMM_Integrator())) transfer(langevin, OpenMM_Integrator(0)))
call OpenMM_Context_setPositions(context, initialPosInNm) call OpenMM_Context_setPositions(context, initialPosInNm)
! Get the platform name to return. ! Get the platform name to return.
...@@ -257,7 +257,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName) ...@@ -257,7 +257,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
call OpenMM_RuntimeObjects_create(omm) call OpenMM_RuntimeObjects_create(omm)
call OpenMM_RuntimeObjects_setSystem(omm, system) call OpenMM_RuntimeObjects_setSystem(omm, system)
call OpenMM_RuntimeObjects_setIntegrator(omm, & call OpenMM_RuntimeObjects_setIntegrator(omm, &
transfer(langevin, OpenMM_Integrator())) transfer(langevin, OpenMM_Integrator(0)))
call OpenMM_RuntimeObjects_setContext(omm, context) call OpenMM_RuntimeObjects_setContext(omm, context)
ommHandle = transfer(omm, ommHandle) ommHandle = transfer(omm, ommHandle)
END SUBROUTINE END SUBROUTINE
......
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