"platforms/opencl/tests/TestOpenCLCustomManyParticleForce.cpp" did not exist on "e1a378b784ed377f9458669f358ddc021da7df92"
Unverified Commit 90656381 authored by peastman's avatar peastman Committed by GitHub
Browse files

Merge pull request #2517 from peastman/spaces

Fixed incorrect formatting
parents b6dfe9ff d52b4225
...@@ -258,7 +258,7 @@ private: ...@@ -258,7 +258,7 @@ private:
// The suffix used to distinguish NH chains, e.g. for Drude particles vs. regular particles. // The suffix used to distinguish NH chains, e.g. for Drude particles vs. regular particles.
int chainID; int chainID;
std::vector<int> thermostatedAtoms; std::vector<int> thermostatedAtoms;
std::vector<std::pair<int, int>> thermostatedPairs; std::vector<std::pair<int, int> > thermostatedPairs;
}; };
} // namespace OpenMM } // namespace OpenMM
......
...@@ -230,7 +230,7 @@ public: ...@@ -230,7 +230,7 @@ public:
/** /**
* Get a list of all connected Drude-like pairs, and their target relative temperature, in the system. * Get a list of all connected Drude-like pairs, and their target relative temperature, in the system.
*/ */
const std::vector<std::tuple<int, int, double>> & getAllThermostatedPairs() const { return allPairs; } const std::vector<std::tuple<int, int, double> > & getAllThermostatedPairs() const { return allPairs; }
protected: protected:
/** /**
* Advance any Nose-Hoover chains associated with this integrator and determine * Advance any Nose-Hoover chains associated with this integrator and determine
...@@ -267,7 +267,7 @@ protected: ...@@ -267,7 +267,7 @@ protected:
std::vector<NoseHooverChain> noseHooverChains; std::vector<NoseHooverChain> noseHooverChains;
std::vector<int> allAtoms; std::vector<int> allAtoms;
std::vector<std::tuple<int, int, double>> allPairs; std::vector<std::tuple<int, int, double> > allPairs;
bool forcesAreValid; bool forcesAreValid;
Kernel vvKernel, nhcKernel; Kernel vvKernel, nhcKernel;
bool hasSubsystemThermostats_; bool hasSubsystemThermostats_;
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment