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tsoc
openmm
Commits
887d4e18
Commit
887d4e18
authored
Aug 09, 2012
by
Peter Eastman
Browse files
Improvements to Doxygen comments
parent
ccea3969
Changes
3
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3 changed files
with
12 additions
and
6 deletions
+12
-6
openmmapi/include/openmm/CustomNonbondedForce.h
openmmapi/include/openmm/CustomNonbondedForce.h
+6
-0
openmmapi/include/openmm/PeriodicTorsionForce.h
openmmapi/include/openmm/PeriodicTorsionForce.h
+3
-3
openmmapi/include/openmm/RBTorsionForce.h
openmmapi/include/openmm/RBTorsionForce.h
+3
-3
No files found.
openmmapi/include/openmm/CustomNonbondedForce.h
View file @
887d4e18
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@@ -73,6 +73,12 @@ namespace OpenMM {
* force->addPerParticleParameter("epsilon");
* </pre></tt>
*
* The expression <i>must</i> be symmetric with respect to the two particles. It typically will only be evaluated once
* for each pair of particles, and no guarantee is made about which particle will be identified as "particle 1". In the
* above example, the energy only depends on the products sigma1*sigma2 and epsilon1*epsilon2, both of which are unchanged
* if the labels 1 and 2 are reversed. In contrast, if it depended on the difference sigma1-sigma2, the results would
* be undefined, because reversing the labels 1 and 2 would change the energy.
*
* Expressions may involve the operators + (add), - (subtract), * (multiply), / (divide), and ^ (power), and the following
* functions: sqrt, exp, log, sin, cos, sec, csc, tan, cot, asin, acos, atan, sinh, cosh, tanh, erf, erfc, min, max, abs, step, delta. All trigonometric functions
* are defined in radians, and log is the natural logarithm. step(x) = 0 if x is less than 0, 1 otherwise. delta(x) = 1 if x is 0, 0 otherwise. The names of per-particle parameters
...
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openmmapi/include/openmm/PeriodicTorsionForce.h
View file @
887d4e18
...
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@@ -64,7 +64,7 @@ public:
* @param particle1 the index of the first particle forming the torsion
* @param particle2 the index of the second particle forming the torsion
* @param particle3 the index of the third particle forming the torsion
* @param particle
3
the index of the fourth particle forming the torsion
* @param particle
4
the index of the fourth particle forming the torsion
* @param periodicity the periodicity of the torsion
* @param phase the phase offset of the torsion, measured in radians
* @param k the force constant for the torsion
...
...
@@ -78,7 +78,7 @@ public:
* @param particle1 the index of the first particle forming the torsion
* @param particle2 the index of the second particle forming the torsion
* @param particle3 the index of the third particle forming the torsion
* @param particle
3
the index of the fourth particle forming the torsion
* @param particle
4
the index of the fourth particle forming the torsion
* @param periodicity the periodicity of the torsion
* @param phase the phase offset of the torsion, measured in radians
* @param k the force constant for the torsion
...
...
@@ -91,7 +91,7 @@ public:
* @param particle1 the index of the first particle forming the torsion
* @param particle2 the index of the second particle forming the torsion
* @param particle3 the index of the third particle forming the torsion
* @param particle
3
the index of the fourth particle forming the torsion
* @param particle
4
the index of the fourth particle forming the torsion
* @param periodicity the periodicity of the torsion
* @param phase the phase offset of the torsion, measured in radians
* @param k the force constant for the torsion
...
...
openmmapi/include/openmm/RBTorsionForce.h
View file @
887d4e18
...
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@@ -64,7 +64,7 @@ public:
* @param particle1 the index of the first particle forming the torsion
* @param particle2 the index of the second particle forming the torsion
* @param particle3 the index of the third particle forming the torsion
* @param particle
3
the index of the fourth particle forming the torsion
* @param particle
4
the index of the fourth particle forming the torsion
* @param c0 the coefficient of the constant term, measured in kJ/mol
* @param c1 the coefficient of the 1st order term, measured in kJ/mol
* @param c2 the coefficient of the 2nd order term, measured in kJ/mol
...
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@@ -81,7 +81,7 @@ public:
* @param particle1 the index of the first particle forming the torsion
* @param particle2 the index of the second particle forming the torsion
* @param particle3 the index of the third particle forming the torsion
* @param particle
3
the index of the fourth particle forming the torsion
* @param particle
4
the index of the fourth particle forming the torsion
* @param c0 the coefficient of the constant term, measured in kJ/mol
* @param c1 the coefficient of the 1st order term, measured in kJ/mol
* @param c2 the coefficient of the 2nd order term, measured in kJ/mol
...
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@@ -97,7 +97,7 @@ public:
* @param particle1 the index of the first particle forming the torsion
* @param particle2 the index of the second particle forming the torsion
* @param particle3 the index of the third particle forming the torsion
* @param particle
3
the index of the fourth particle forming the torsion
* @param particle
4
the index of the fourth particle forming the torsion
* @param c0 the coefficient of the constant term, measured in kJ/mol
* @param c1 the coefficient of the 1st order term, measured in kJ/mol
* @param c2 the coefficient of the 2nd order term, measured in kJ/mol
...
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