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tsoc
openmm
Commits
dcc334a9
Commit
dcc334a9
authored
Dec 21, 2012
by
Peter Eastman
Browse files
Improved Doxygen comments to mention updateParametersInContext().
parent
bc63b4b5
Changes
10
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10 changed files
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11 additions
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1 deletion
+11
-1
plugins/amoeba/openmmapi/include/openmm/AmoebaAngleForce.h
plugins/amoeba/openmmapi/include/openmm/AmoebaAngleForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaBondForce.h
plugins/amoeba/openmmapi/include/openmm/AmoebaBondForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaGeneralizedKirkwoodForce.h
...openmmapi/include/openmm/AmoebaGeneralizedKirkwoodForce.h
+2
-1
plugins/amoeba/openmmapi/include/openmm/AmoebaInPlaneAngleForce.h
...amoeba/openmmapi/include/openmm/AmoebaInPlaneAngleForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaMultipoleForce.h
...ns/amoeba/openmmapi/include/openmm/AmoebaMultipoleForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaOutOfPlaneBendForce.h
...oeba/openmmapi/include/openmm/AmoebaOutOfPlaneBendForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaPiTorsionForce.h
...ns/amoeba/openmmapi/include/openmm/AmoebaPiTorsionForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaStretchBendForce.h
.../amoeba/openmmapi/include/openmm/AmoebaStretchBendForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaVdwForce.h
plugins/amoeba/openmmapi/include/openmm/AmoebaVdwForce.h
+1
-0
plugins/amoeba/openmmapi/include/openmm/AmoebaWcaDispersionForce.h
...moeba/openmmapi/include/openmm/AmoebaWcaDispersionForce.h
+1
-0
No files found.
plugins/amoeba/openmmapi/include/openmm/AmoebaAngleForce.h
View file @
dcc334a9
...
@@ -46,6 +46,7 @@ namespace OpenMM {
...
@@ -46,6 +46,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaAngleForce object then call addAngle() once for each angle. After
* To use it, create an AmoebaAngleForce object then call addAngle() once for each angle. After
* an angle has been added, you can modify its force field parameters by calling setAngleParameters().
* an angle has been added, you can modify its force field parameters by calling setAngleParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaAngleForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaAngleForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaBondForce.h
View file @
dcc334a9
...
@@ -48,6 +48,7 @@ namespace OpenMM {
...
@@ -48,6 +48,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaBondForce object then call addBond() once for each bond. After
* To use it, create an AmoebaBondForce object then call addBond() once for each bond. After
* a bond has been added, you can modify its force field parameters by calling setBondParameters().
* a bond has been added, you can modify its force field parameters by calling setBondParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaBondForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaBondForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaGeneralizedKirkwoodForce.h
View file @
dcc334a9
...
@@ -45,7 +45,8 @@ namespace OpenMM {
...
@@ -45,7 +45,8 @@ namespace OpenMM {
* System to define its parameters. The number of particles for which you define parameters must
* System to define its parameters. The number of particles for which you define parameters must
* be equal to the number of particles in the System, or else an exception will be thrown when you
* be equal to the number of particles in the System, or else an exception will be thrown when you
* try to create a Context. After a particle has been added, you can modify its force field parameters
* try to create a Context. After a particle has been added, you can modify its force field parameters
* by calling setParticleParameters().
* by calling setParticleParameters(). This will have no effect on Contexts that already exist unless you
* call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaGeneralizedKirkwoodForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaGeneralizedKirkwoodForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaInPlaneAngleForce.h
View file @
dcc334a9
...
@@ -46,6 +46,7 @@ namespace OpenMM {
...
@@ -46,6 +46,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaInPlaneAngleForce object then call addAngle() once for each angle. After
* To use it, create an AmoebaInPlaneAngleForce object then call addAngle() once for each angle. After
* an angle has been added, you can modify its force field parameters by calling setAngleParameters().
* an angle has been added, you can modify its force field parameters by calling setAngleParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaInPlaneAngleForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaInPlaneAngleForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaMultipoleForce.h
View file @
dcc334a9
...
@@ -47,6 +47,7 @@ namespace OpenMM {
...
@@ -47,6 +47,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaMultipoleForce object then call addMultipole() once for each atom. After
* To use it, create an AmoebaMultipoleForce object then call addMultipole() once for each atom. After
* an entry has been added, you can modify its force field parameters by calling setMultipoleParameters().
* an entry has been added, you can modify its force field parameters by calling setMultipoleParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaMultipoleForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaMultipoleForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaOutOfPlaneBendForce.h
View file @
dcc334a9
...
@@ -43,6 +43,7 @@ namespace OpenMM {
...
@@ -43,6 +43,7 @@ namespace OpenMM {
*
*
* To use it, create an OutOfPlaneBendForce object then call addOutOfPlaneBend() once for each outOfPlaneBend. After
* To use it, create an OutOfPlaneBendForce object then call addOutOfPlaneBend() once for each outOfPlaneBend. After
* an out-of-plane bend has been added, you can modify its force field parameters by calling setOutOfPlaneBendParameters().
* an out-of-plane bend has been added, you can modify its force field parameters by calling setOutOfPlaneBendParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaOutOfPlaneBendForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaOutOfPlaneBendForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaPiTorsionForce.h
View file @
dcc334a9
...
@@ -43,6 +43,7 @@ namespace OpenMM {
...
@@ -43,6 +43,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaPiTorsionForce object then call addPiTorsion() once for each torsion. After
* To use it, create an AmoebaPiTorsionForce object then call addPiTorsion() once for each torsion. After
* a torsion has been added, you can modify its force field parameters by calling setPiTorsionParameters().
* a torsion has been added, you can modify its force field parameters by calling setPiTorsionParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaPiTorsionForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaPiTorsionForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaStretchBendForce.h
View file @
dcc334a9
...
@@ -43,6 +43,7 @@ namespace OpenMM {
...
@@ -43,6 +43,7 @@ namespace OpenMM {
*
*
* To use it, create a StretchBendForce object then call addStretchBend() once for each stretch-bend. After
* To use it, create a StretchBendForce object then call addStretchBend() once for each stretch-bend. After
* a stretch-bend has been added, you can modify its force field parameters by calling setStretchBendParameters().
* a stretch-bend has been added, you can modify its force field parameters by calling setStretchBendParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaStretchBendForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaStretchBendForce
:
public
Force
{
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaVdwForce.h
View file @
dcc334a9
...
@@ -43,6 +43,7 @@ namespace OpenMM {
...
@@ -43,6 +43,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaVdwForce object then call addParticle() once for each particle. After
* To use it, create an AmoebaVdwForce object then call addParticle() once for each particle. After
* a particle has been added, you can modify its force field parameters by calling setParticleParameters().
* a particle has been added, you can modify its force field parameters by calling setParticleParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*
*
* A unique feature of this class is that the interaction site for a particle does not need to be
* A unique feature of this class is that the interaction site for a particle does not need to be
* exactly at the particle's location. Instead, it can be placed a fraction of the distance from that
* exactly at the particle's location. Instead, it can be placed a fraction of the distance from that
...
...
plugins/amoeba/openmmapi/include/openmm/AmoebaWcaDispersionForce.h
View file @
dcc334a9
...
@@ -44,6 +44,7 @@ namespace OpenMM {
...
@@ -44,6 +44,7 @@ namespace OpenMM {
*
*
* To use it, create an AmoebaWcaDispersionForce object then call addParticle() once for each particle. After
* To use it, create an AmoebaWcaDispersionForce object then call addParticle() once for each particle. After
* a particle has been added, you can modify its force field parameters by calling setParticleParameters().
* a particle has been added, you can modify its force field parameters by calling setParticleParameters().
* This will have no effect on Contexts that already exist unless you call updateParametersInContext().
*/
*/
class
OPENMM_EXPORT_AMOEBA
AmoebaWcaDispersionForce
:
public
Force
{
class
OPENMM_EXPORT_AMOEBA
AmoebaWcaDispersionForce
:
public
Force
{
...
...
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