src/brains/ForceManager.cpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */
 
/**
 * @file ForceManager.cpp
 * @author tlin
 * @date 11/09/2004
 * @time 10:39am
 * @version 1.0
 */

#include "brains/ForceManager.hpp"
#include "primitives/Molecule.hpp"
#include "UseTheForce/doForces_interface.h"
#define __C
#include "UseTheForce/DarkSide/fInteractionMap.h"
#include "utils/simError.h"
#include "primitives/Bend.hpp"
#include "primitives/Bend.hpp"
namespace oopse {

  void ForceManager::calcForces(bool needPotential, bool needStress) {
    
    if (!info_->isFortranInitialized()) {
      info_->update();
    }
    
    preCalculation();
    
    calcShortRangeInteraction();

    calcLongRangeInteraction(needPotential, needStress);

    postCalculation(needStress);
    
  }
  
  void ForceManager::preCalculation() {
    SimInfo::MoleculeIterator mi;
    Molecule* mol;
    Molecule::AtomIterator ai;
    Atom* atom;
    Molecule::RigidBodyIterator rbIter;
    RigidBody* rb;
    
    // forces are zeroed here, before any are accumulated.
    // NOTE: do not rezero the forces in Fortran.

    for (mol = info_->beginMolecule(mi); mol != NULL; 
         mol = info_->nextMolecule(mi)) {
      for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
        atom->zeroForcesAndTorques();
      }
      
      //change the positions of atoms which belong to the rigidbodies
      for (rb = mol->beginRigidBody(rbIter); rb != NULL; 
           rb = mol->nextRigidBody(rbIter)) {
        rb->zeroForcesAndTorques();
      }        
    }
    
    // Zero out the stress tensor
    tau *= 0.0;
    
  }
  
  void ForceManager::calcShortRangeInteraction() {
    Molecule* mol;
    RigidBody* rb;
    Bond* bond;
    Bend* bend;
    Torsion* torsion;
    SimInfo::MoleculeIterator mi;
    Molecule::RigidBodyIterator rbIter;
    Molecule::BondIterator bondIter;;
    Molecule::BendIterator  bendIter;
    Molecule::TorsionIterator  torsionIter;
    RealType bondPotential = 0.0;
    RealType bendPotential = 0.0;
    RealType torsionPotential = 0.0;

    //calculate short range interactions    
    for (mol = info_->beginMolecule(mi); mol != NULL; 
         mol = info_->nextMolecule(mi)) {

      //change the positions of atoms which belong to the rigidbodies
      for (rb = mol->beginRigidBody(rbIter); rb != NULL; 
           rb = mol->nextRigidBody(rbIter)) {
        rb->updateAtoms();
      }

      for (bond = mol->beginBond(bondIter); bond != NULL; 
           bond = mol->nextBond(bondIter)) {
        bond->calcForce();
        bondPotential += bond->getPotential();
      }

      for (bend = mol->beginBend(bendIter); bend != NULL; 
           bend = mol->nextBend(bendIter)) {
        
        RealType angle;
        bend->calcForce(angle);
        RealType currBendPot = bend->getPotential();          
        bendPotential += bend->getPotential();
        std::map<Bend*, BendDataSet>::iterator i = bendDataSets.find(bend);
        if (i == bendDataSets.end()) {
          BendDataSet dataSet;
          dataSet.prev.angle = dataSet.curr.angle = angle;
          dataSet.prev.potential = dataSet.curr.potential = currBendPot;
          dataSet.deltaV = 0.0;
          bendDataSets.insert(std::map<Bend*, BendDataSet>::value_type(bend, dataSet));
        }else {
          i->second.prev.angle = i->second.curr.angle;
          i->second.prev.potential = i->second.curr.potential;
          i->second.curr.angle = angle;
          i->second.curr.potential = currBendPot;
          i->second.deltaV =  fabs(i->second.curr.potential -  
                                   i->second.prev.potential);
        }
      }
      
      for (torsion = mol->beginTorsion(torsionIter); torsion != NULL; 
           torsion = mol->nextTorsion(torsionIter)) {
        RealType angle;
        torsion->calcForce(angle);
        RealType currTorsionPot = torsion->getPotential();
        torsionPotential += torsion->getPotential();
        std::map<Torsion*, TorsionDataSet>::iterator i = torsionDataSets.find(torsion);
        if (i == torsionDataSets.end()) {
          TorsionDataSet dataSet;
          dataSet.prev.angle = dataSet.curr.angle = angle;
          dataSet.prev.potential = dataSet.curr.potential = currTorsionPot;
          dataSet.deltaV = 0.0;
          torsionDataSets.insert(std::map<Torsion*, TorsionDataSet>::value_type(torsion, dataSet));
        }else {
          i->second.prev.angle = i->second.curr.angle;
          i->second.prev.potential = i->second.curr.potential;
          i->second.curr.angle = angle;
          i->second.curr.potential = currTorsionPot;
          i->second.deltaV =  fabs(i->second.curr.potential -  
                                   i->second.prev.potential);
        }      
      }      
    }
    
    RealType  shortRangePotential = bondPotential + bendPotential + 
      torsionPotential;    
    Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
    curSnapshot->statData[Stats::SHORT_RANGE_POTENTIAL] = shortRangePotential;
    curSnapshot->statData[Stats::BOND_POTENTIAL] = bondPotential;
    curSnapshot->statData[Stats::BEND_POTENTIAL] = bendPotential;
    curSnapshot->statData[Stats::DIHEDRAL_POTENTIAL] = torsionPotential;
    
  }
  
  void ForceManager::calcLongRangeInteraction(bool needPotential, 
                                              bool needStress) {
    Snapshot* curSnapshot;
    DataStorage* config;
    RealType* frc;
    RealType* pos;
    RealType* trq;
    RealType* A;
    RealType* electroFrame;
    RealType* rc;
    
    //get current snapshot from SimInfo
    curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
    
    //get array pointers
    config = &(curSnapshot->atomData);
    frc = config->getArrayPointer(DataStorage::dslForce);
    pos = config->getArrayPointer(DataStorage::dslPosition);
    trq = config->getArrayPointer(DataStorage::dslTorque);
    A   = config->getArrayPointer(DataStorage::dslAmat);
    electroFrame = config->getArrayPointer(DataStorage::dslElectroFrame);

    //calculate the center of mass of cutoff group
    SimInfo::MoleculeIterator mi;
    Molecule* mol;
    Molecule::CutoffGroupIterator ci;
    CutoffGroup* cg;
    Vector3d com;
    std::vector<Vector3d> rcGroup;
    
    if(info_->getNCutoffGroups() > 0){
      
      for (mol = info_->beginMolecule(mi); mol != NULL; 
           mol = info_->nextMolecule(mi)) {
        for(cg = mol->beginCutoffGroup(ci); cg != NULL; 
            cg = mol->nextCutoffGroup(ci)) {
          cg->getCOM(com);
          rcGroup.push_back(com);
        }
      }// end for (mol)
       
      rc = rcGroup[0].getArrayPointer();
    } else {
      // center of mass of the group is the same as position of the atom  
      // if cutoff group does not exist
      rc = pos;
    }
    
    //initialize data before passing to fortran
    RealType longRangePotential[LR_POT_TYPES];
    RealType lrPot = 0.0;
    Vector3d totalDipole;
    short int passedCalcPot = needPotential;
    short int passedCalcStress = needStress;
    int isError = 0;

    for (int i=0; i<LR_POT_TYPES;i++){
      longRangePotential[i]=0.0; //Initialize array
    }
    
    doForceLoop( pos,
                 rc,
                 A,
                 electroFrame,
                 frc,
                 trq,
                 tau.getArrayPointer(),
                 longRangePotential, 
                 &passedCalcPot,
                 &passedCalcStress,
                 &isError );

    if( isError ){
      sprintf( painCave.errMsg,
               "Error returned from the fortran force calculation.\n" );
      painCave.isFatal = 1;
      simError();
    }
    for (int i=0; i<LR_POT_TYPES;i++){
      lrPot += longRangePotential[i]; //Quick hack
    }
    
    // grab the simulation box dipole moment if specified
    if (info_->getCalcBoxDipole()){
      getAccumulatedBoxDipole(totalDipole.getArrayPointer());
      
      curSnapshot->statData[Stats::BOX_DIPOLE_X] = totalDipole(0);
      curSnapshot->statData[Stats::BOX_DIPOLE_Y] = totalDipole(1);
      curSnapshot->statData[Stats::BOX_DIPOLE_Z] = totalDipole(2);
    }
    
    //store the tau and long range potential    
    curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot;
    curSnapshot->statData[Stats::VANDERWAALS_POTENTIAL] = longRangePotential[VDW_POT];
    curSnapshot->statData[Stats::ELECTROSTATIC_POTENTIAL] = longRangePotential[ELECTROSTATIC_POT];
  }

  
  void ForceManager::postCalculation(bool needStress) {
    SimInfo::MoleculeIterator mi;
    Molecule* mol;
    Molecule::RigidBodyIterator rbIter;
    RigidBody* rb;
    Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
    
    // collect the atomic forces onto rigid bodies
    
    for (mol = info_->beginMolecule(mi); mol != NULL; 
         mol = info_->nextMolecule(mi)) {
      for (rb = mol->beginRigidBody(rbIter); rb != NULL; 
           rb = mol->nextRigidBody(rbIter)) { 
        if (needStress) {          
          Mat3x3d rbTau = rb->calcForcesAndTorquesAndVirial();
          tau += rbTau;
        } else{
          rb->calcForcesAndTorques();
        }
      }
    }

    if (needStress) {
#ifdef IS_MPI
      Mat3x3d tmpTau(tau);
      MPI_Allreduce(tmpTau.getArrayPointer(), tau.getArrayPointer(), 
                    9, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
#endif
      curSnapshot->statData.setTau(tau);
    } 
  }

} //end namespace oopse
Revision:	1126
Committed:	Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File size:	11269 byte(s)
Log Message:	Massive update to do virials (both atomic and cutoff-group) correctly. The rigid body constraint contributions had been missing and this was masked by the use of cutoff groups...
#	Content
1	/*
2	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	*
4	* The University of Notre Dame grants you ("Licensee") a
5	* non-exclusive, royalty free, license to use, modify and
6	* redistribute this software in source and binary code form, provided
7	* that the following conditions are met:
8	*
9	* 1. Acknowledgement of the program authors must be made in any
10	* publication of scientific results based in part on use of the
11	* program. An acceptable form of acknowledgement is citation of
12	* the article in which the program was described (Matthew
13	* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	* Parallel Simulation Engine for Molecular Dynamics,"
16	* J. Comput. Chem. 26, pp. 252-271 (2005))
17	*
18	* 2. Redistributions of source code must retain the above copyright
19	* notice, this list of conditions and the following disclaimer.
20	*
21	* 3. Redistributions in binary form must reproduce the above copyright
22	* notice, this list of conditions and the following disclaimer in the
23	* documentation and/or other materials provided with the
24	* distribution.
25	*
26	* This software is provided "AS IS," without a warranty of any
27	* kind. All express or implied conditions, representations and
28	* warranties, including any implied warranty of merchantability,
29	* fitness for a particular purpose or non-infringement, are hereby
30	* excluded. The University of Notre Dame and its licensors shall not
31	* be liable for any damages suffered by licensee as a result of
32	* using, modifying or distributing the software or its
33	* derivatives. In no event will the University of Notre Dame or its
34	* licensors be liable for any lost revenue, profit or data, or for
35	* direct, indirect, special, consequential, incidental or punitive
36	* damages, however caused and regardless of the theory of liability,
37	* arising out of the use of or inability to use software, even if the
38	* University of Notre Dame has been advised of the possibility of
39	* such damages.
40	*/
41
42	/**
43	* @file ForceManager.cpp
44	* @author tlin
45	* @date 11/09/2004
46	* @time 10:39am
47	* @version 1.0
48	*/
49
50	#include "brains/ForceManager.hpp"
51	#include "primitives/Molecule.hpp"
52	#include "UseTheForce/doForces_interface.h"
53	#define __C
54	#include "UseTheForce/DarkSide/fInteractionMap.h"
55	#include "utils/simError.h"
56	#include "primitives/Bend.hpp"
57	#include "primitives/Bend.hpp"
58	namespace oopse {
59
60	void ForceManager::calcForces(bool needPotential, bool needStress) {
61
62	if (!info_->isFortranInitialized()) {
63	info_->update();
64	}
65
66	preCalculation();
67
68	calcShortRangeInteraction();
69
70	calcLongRangeInteraction(needPotential, needStress);
71
72	postCalculation(needStress);
73
74	}
75
76	void ForceManager::preCalculation() {
77	SimInfo::MoleculeIterator mi;
78	Molecule* mol;
79	Molecule::AtomIterator ai;
80	Atom* atom;
81	Molecule::RigidBodyIterator rbIter;
82	RigidBody* rb;
83
84	// forces are zeroed here, before any are accumulated.
85	// NOTE: do not rezero the forces in Fortran.
86
87	for (mol = info_->beginMolecule(mi); mol != NULL;
88	mol = info_->nextMolecule(mi)) {
89	for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
90	atom->zeroForcesAndTorques();
91	}
92
93	//change the positions of atoms which belong to the rigidbodies
94	for (rb = mol->beginRigidBody(rbIter); rb != NULL;
95	rb = mol->nextRigidBody(rbIter)) {
96	rb->zeroForcesAndTorques();
97	}
98	}
99
100	// Zero out the stress tensor
101	tau *= 0.0;
102
103	}
104
105	void ForceManager::calcShortRangeInteraction() {
106	Molecule* mol;
107	RigidBody* rb;
108	Bond* bond;
109	Bend* bend;
110	Torsion* torsion;
111	SimInfo::MoleculeIterator mi;
112	Molecule::RigidBodyIterator rbIter;
113	Molecule::BondIterator bondIter;;
114	Molecule::BendIterator bendIter;
115	Molecule::TorsionIterator torsionIter;
116	RealType bondPotential = 0.0;
117	RealType bendPotential = 0.0;
118	RealType torsionPotential = 0.0;
119
120	//calculate short range interactions
121	for (mol = info_->beginMolecule(mi); mol != NULL;
122	mol = info_->nextMolecule(mi)) {
123
124	//change the positions of atoms which belong to the rigidbodies
125	for (rb = mol->beginRigidBody(rbIter); rb != NULL;
126	rb = mol->nextRigidBody(rbIter)) {
127	rb->updateAtoms();
128	}
129
130	for (bond = mol->beginBond(bondIter); bond != NULL;
131	bond = mol->nextBond(bondIter)) {
132	bond->calcForce();
133	bondPotential += bond->getPotential();
134	}
135
136	for (bend = mol->beginBend(bendIter); bend != NULL;
137	bend = mol->nextBend(bendIter)) {
138
139	RealType angle;
140	bend->calcForce(angle);
141	RealType currBendPot = bend->getPotential();
142	bendPotential += bend->getPotential();
143	std::map<Bend*, BendDataSet>::iterator i = bendDataSets.find(bend);
144	if (i == bendDataSets.end()) {
145	BendDataSet dataSet;
146	dataSet.prev.angle = dataSet.curr.angle = angle;
147	dataSet.prev.potential = dataSet.curr.potential = currBendPot;
148	dataSet.deltaV = 0.0;
149	bendDataSets.insert(std::map<Bend*, BendDataSet>::value_type(bend, dataSet));
150	}else {
151	i->second.prev.angle = i->second.curr.angle;
152	i->second.prev.potential = i->second.curr.potential;
153	i->second.curr.angle = angle;
154	i->second.curr.potential = currBendPot;
155	i->second.deltaV = fabs(i->second.curr.potential -
156	i->second.prev.potential);
157	}
158	}
159
160	for (torsion = mol->beginTorsion(torsionIter); torsion != NULL;
161	torsion = mol->nextTorsion(torsionIter)) {
162	RealType angle;
163	torsion->calcForce(angle);
164	RealType currTorsionPot = torsion->getPotential();
165	torsionPotential += torsion->getPotential();
166	std::map<Torsion*, TorsionDataSet>::iterator i = torsionDataSets.find(torsion);
167	if (i == torsionDataSets.end()) {
168	TorsionDataSet dataSet;
169	dataSet.prev.angle = dataSet.curr.angle = angle;
170	dataSet.prev.potential = dataSet.curr.potential = currTorsionPot;
171	dataSet.deltaV = 0.0;
172	torsionDataSets.insert(std::map<Torsion*, TorsionDataSet>::value_type(torsion, dataSet));
173	}else {
174	i->second.prev.angle = i->second.curr.angle;
175	i->second.prev.potential = i->second.curr.potential;
176	i->second.curr.angle = angle;
177	i->second.curr.potential = currTorsionPot;
178	i->second.deltaV = fabs(i->second.curr.potential -
179	i->second.prev.potential);
180	}
181	}
182	}
183
184	RealType shortRangePotential = bondPotential + bendPotential +
185	torsionPotential;
186	Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
187	curSnapshot->statData[Stats::SHORT_RANGE_POTENTIAL] = shortRangePotential;
188	curSnapshot->statData[Stats::BOND_POTENTIAL] = bondPotential;
189	curSnapshot->statData[Stats::BEND_POTENTIAL] = bendPotential;
190	curSnapshot->statData[Stats::DIHEDRAL_POTENTIAL] = torsionPotential;
191
192	}
193
194	void ForceManager::calcLongRangeInteraction(bool needPotential,
195	bool needStress) {
196	Snapshot* curSnapshot;
197	DataStorage* config;
198	RealType* frc;
199	RealType* pos;
200	RealType* trq;
201	RealType* A;
202	RealType* electroFrame;
203	RealType* rc;
204
205	//get current snapshot from SimInfo
206	curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
207
208	//get array pointers
209	config = &(curSnapshot->atomData);
210	frc = config->getArrayPointer(DataStorage::dslForce);
211	pos = config->getArrayPointer(DataStorage::dslPosition);
212	trq = config->getArrayPointer(DataStorage::dslTorque);
213	A = config->getArrayPointer(DataStorage::dslAmat);
214	electroFrame = config->getArrayPointer(DataStorage::dslElectroFrame);
215
216	//calculate the center of mass of cutoff group
217	SimInfo::MoleculeIterator mi;
218	Molecule* mol;
219	Molecule::CutoffGroupIterator ci;
220	CutoffGroup* cg;
221	Vector3d com;
222	std::vector<Vector3d> rcGroup;
223
224	if(info_->getNCutoffGroups() > 0){
225
226	for (mol = info_->beginMolecule(mi); mol != NULL;
227	mol = info_->nextMolecule(mi)) {
228	for(cg = mol->beginCutoffGroup(ci); cg != NULL;
229	cg = mol->nextCutoffGroup(ci)) {
230	cg->getCOM(com);
231	rcGroup.push_back(com);
232	}
233	}// end for (mol)
234
235	rc = rcGroup[0].getArrayPointer();
236	} else {
237	// center of mass of the group is the same as position of the atom
238	// if cutoff group does not exist
239	rc = pos;
240	}
241
242	//initialize data before passing to fortran
243	RealType longRangePotential[LR_POT_TYPES];
244	RealType lrPot = 0.0;
245	Vector3d totalDipole;
246	short int passedCalcPot = needPotential;
247	short int passedCalcStress = needStress;
248	int isError = 0;
249
250	for (int i=0; i<LR_POT_TYPES;i++){
251	longRangePotential[i]=0.0; //Initialize array
252	}
253
254	doForceLoop( pos,
255	rc,
256	A,
257	electroFrame,
258	frc,
259	trq,
260	tau.getArrayPointer(),
261	longRangePotential,
262	&passedCalcPot,
263	&passedCalcStress,
264	&isError );
265
266	if( isError ){
267	sprintf( painCave.errMsg,
268	"Error returned from the fortran force calculation.\n" );
269	painCave.isFatal = 1;
270	simError();
271	}
272	for (int i=0; i<LR_POT_TYPES;i++){
273	lrPot += longRangePotential[i]; //Quick hack
274	}
275
276	// grab the simulation box dipole moment if specified
277	if (info_->getCalcBoxDipole()){
278	getAccumulatedBoxDipole(totalDipole.getArrayPointer());
279
280	curSnapshot->statData[Stats::BOX_DIPOLE_X] = totalDipole(0);
281	curSnapshot->statData[Stats::BOX_DIPOLE_Y] = totalDipole(1);
282	curSnapshot->statData[Stats::BOX_DIPOLE_Z] = totalDipole(2);
283	}
284
285	//store the tau and long range potential
286	curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot;
287	curSnapshot->statData[Stats::VANDERWAALS_POTENTIAL] = longRangePotential[VDW_POT];
288	curSnapshot->statData[Stats::ELECTROSTATIC_POTENTIAL] = longRangePotential[ELECTROSTATIC_POT];
289	}
290
291
292	void ForceManager::postCalculation(bool needStress) {
293	SimInfo::MoleculeIterator mi;
294	Molecule* mol;
295	Molecule::RigidBodyIterator rbIter;
296	RigidBody* rb;
297	Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
298
299	// collect the atomic forces onto rigid bodies
300
301	for (mol = info_->beginMolecule(mi); mol != NULL;
302	mol = info_->nextMolecule(mi)) {
303	for (rb = mol->beginRigidBody(rbIter); rb != NULL;
304	rb = mol->nextRigidBody(rbIter)) {
305	if (needStress) {
306	Mat3x3d rbTau = rb->calcForcesAndTorquesAndVirial();
307	tau += rbTau;
308	} else{
309	rb->calcForcesAndTorques();
310	}
311	}
312	}
313
314	if (needStress) {
315	#ifdef IS_MPI
316	Mat3x3d tmpTau(tau);
317	MPI_Allreduce(tmpTau.getArrayPointer(), tau.getArrayPointer(),
318	9, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
319	#endif
320	curSnapshot->statData.setTau(tau);
321	}
322	}
323
324	} //end namespace oopse