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tsoc
openmm
Commits
726544fa
"...ssh:/git@developer.sourcefind.cn:2222/tsoc/openmm.git" did not exist on "9966f134d166a9365211d4d4eb9a109c8a49631f"
Unverified
Commit
726544fa
authored
Nov 01, 2023
by
Peter Eastman
Committed by
GitHub
Nov 01, 2023
Browse files
Clarified documentation on virtual sites (#4292)
parent
ac1748ac
Changes
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openmmapi/include/openmm/VirtualSite.h
openmmapi/include/openmm/VirtualSite.h
+9
-9
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openmmapi/include/openmm/VirtualSite.h
View file @
726544fa
...
@@ -70,8 +70,8 @@ private:
...
@@ -70,8 +70,8 @@ private:
/**
/**
* This is a VirtualSite that computes the particle location as a weighted average
* This is a VirtualSite that computes the particle location as a weighted average
* of two other particle's locations.
Assuming the weights add up to 1, this means
* of two other particle's locations.
This means the virtual site is on the
*
the virtual site is on the
line passing through the two particles.
* line passing through the two particles.
*/
*/
class
OPENMM_EXPORT
TwoParticleAverageSite
:
public
VirtualSite
{
class
OPENMM_EXPORT
TwoParticleAverageSite
:
public
VirtualSite
{
public:
public:
...
@@ -81,8 +81,8 @@ public:
...
@@ -81,8 +81,8 @@ public:
*
*
* @param particle1 the index of the first particle
* @param particle1 the index of the first particle
* @param particle2 the index of the second particle
* @param particle2 the index of the second particle
* @param weight1 the weight factor (between 0 and 1) for the first particle
* @param weight1 the weight factor (
typically
between 0 and 1) for the first particle
* @param weight2 the weight factor (between 0 and 1) for the second particle
* @param weight2 the weight factor (
typically
between 0 and 1) for the second particle
*/
*/
TwoParticleAverageSite
(
int
particle1
,
int
particle2
,
double
weight1
,
double
weight2
);
TwoParticleAverageSite
(
int
particle1
,
int
particle2
,
double
weight1
,
double
weight2
);
/**
/**
...
@@ -98,8 +98,8 @@ private:
...
@@ -98,8 +98,8 @@ private:
/**
/**
* This is a VirtualSite that computes the particle location as a weighted average
* This is a VirtualSite that computes the particle location as a weighted average
* of three other particle's locations.
Assuming the weights add up to 1, this means
* of three other particle's locations.
This means the virtual site is in the
*
the virtual site is in the
plane of the three particles.
* plane of the three particles.
*/
*/
class
OPENMM_EXPORT
ThreeParticleAverageSite
:
public
VirtualSite
{
class
OPENMM_EXPORT
ThreeParticleAverageSite
:
public
VirtualSite
{
public:
public:
...
@@ -110,9 +110,9 @@ public:
...
@@ -110,9 +110,9 @@ public:
* @param particle1 the index of the first particle
* @param particle1 the index of the first particle
* @param particle2 the index of the second particle
* @param particle2 the index of the second particle
* @param particle3 the index of the third particle
* @param particle3 the index of the third particle
* @param weight1 the weight factor (between 0 and 1) for the first particle
* @param weight1 the weight factor (
typically
between 0 and 1) for the first particle
* @param weight2 the weight factor (between 0 and 1) for the second particle
* @param weight2 the weight factor (
typically
between 0 and 1) for the second particle
* @param weight3 the weight factor (between 0 and 1) for the third particle
* @param weight3 the weight factor (
typically
between 0 and 1) for the third particle
*/
*/
ThreeParticleAverageSite
(
int
particle1
,
int
particle2
,
int
particle3
,
double
weight1
,
double
weight2
,
double
weight3
);
ThreeParticleAverageSite
(
int
particle1
,
int
particle2
,
int
particle3
,
double
weight1
,
double
weight2
,
double
weight3
);
/**
/**
...
...
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