Skip to content

GitLab

"platforms/reference/src/ReferenceTabulatedFunction.cpp" did not exist on "0e879806cdd38e58b04481ecf7fcd93c44c7dc27"
Commit 030ef272 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Remove unused methods

parent 074f6b36
Expand all Hide whitespace changes
Inline Side-by-side
Showing with 0 additions and 697 deletions
platforms/reference/src/gbsa/CpuObc.cpp
View file @ 030ef272
This diff is collapsed.
platforms/reference/src/gbsa/CpuObc.h
View file @ 030ef272
...@@ -147,9 +147,6 @@ class CpuObc : public CpuImplicitSolvent { ...@@ -147,9 +147,6 @@ class CpuObc : public CpuImplicitSolvent {
int computeBornEnergyForces( RealOpenMM* bornRadii, RealOpenMM** atomCoordinates, int computeBornEnergyForces( RealOpenMM* bornRadii, RealOpenMM** atomCoordinates,
const RealOpenMM* partialCharges, RealOpenMM** forces ); const RealOpenMM* partialCharges, RealOpenMM** forces );
int computeBornEnergyForcesPrint( RealOpenMM* bornRadii, RealOpenMM** atomCoordinates,
const RealOpenMM* partialCharges, RealOpenMM** forces );
/**--------------------------------------------------------------------------------------- /**---------------------------------------------------------------------------------------
Get state Get state
...@@ -161,61 +158,6 @@ class CpuObc : public CpuImplicitSolvent { ...@@ -161,61 +158,6 @@ class CpuObc : public CpuImplicitSolvent {
--------------------------------------------------------------------------------------- */ --------------------------------------------------------------------------------------- */
std::string getStateString( const char* title ) const; std::string getStateString( const char* title ) const;
/**---------------------------------------------------------------------------------------
Write Born energy and forces (Simbios)
@param atomCoordinates atomic coordinates
@param partialCharges partial atom charges
@param forces force array
@param resultsFileName output file name
@return SimTKOpenMMCommon::DefaultReturn if file opened; else return SimTKOpenMMCommon::ErrorReturn
--------------------------------------------------------------------------------------- */
int writeBornEnergyForces( RealOpenMM** atomCoordinates,
const RealOpenMM* partialCharges, RealOpenMM** forces,
const std::string& resultsFileName ) const;
/**---------------------------------------------------------------------------------------
Write results from first loop
@param atomCoordinates atomic coordinates
@param RealOpenMM forces forces
@param outputFileName output file name
@return SimTKOpenMMCommon::DefaultReturn unless
file cannot be opened
in which case return SimTKOpenMMCommon::ErrorReturn
--------------------------------------------------------------------------------------- */
static int writeForceLoop1( int numberOfAtoms, RealOpenMM** forces, const RealOpenMM* bornForce,
const std::string& outputFileName );
/**---------------------------------------------------------------------------------------
Write results
@param numberOfAtoms number of atoms
@param chunkSizes vector of chunk sizes for realRealOpenMMVector
@param realRealOpenMMVector vector of RealOpenMM**
@param realVector vector of RealOpenMM*
@param outputFileName output file name
@return SimTKOpenMMCommon::DefaultReturn unless
file cannot be opened
in which case return SimTKOpenMMCommon::ErrorReturn
--------------------------------------------------------------------------------------- */
static int writeForceLoop( int numberOfAtoms, const IntVector& chunkSizes,
const RealOpenMMPtrPtrVector& realRealOpenMMVector,
const RealOpenMMPtrVector& realVector,
const std::string& outputFileName );
}; };
......
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