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"openmmapi/vscode:/vscode.git/clone" did not exist on "f8dc7aa13a45a1a50d35fdc699bff23a6a2532e2"
Commit ff7931dc authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

round() not recognized on Windows

parent 43443ca4
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Showing with 4 additions and 3 deletions
plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp
View file @ ff7931dc
......@@ -2266,8 +2266,8 @@ static void getVdwTaper( double r, double vdwTaperCoefficients[6], double* taper
static void lookupVdwTaperLinear( float r, double vdwTaperCut, double delta,
std::vector<float>& taperTable, std::vector<float>& dtaperTable, float* taper, float* dtaper ){
//int index = static_cast<int>(floor( (r - vdwTaperCut)/delta));
int index = static_cast<int>(round( (r - vdwTaperCut)/delta));
int index = static_cast<int>(floor( (r - vdwTaperCut)/delta));
//int index = static_cast<int>(round( (r - vdwTaperCut)/delta));
if( index > taperTable.size()-1 ){
*taper = *dtaper = 0.0f;
} else {
......@@ -2288,7 +2288,8 @@ static void lookupVdwTaperLinear( float r, double vdwTaperCut, double delta,
static void lookupVdwTaper( float r, double vdwTaperCut, double delta,
std::vector<float>& taperTable, std::vector<float>& dtaperTable, float* taper, float* dtaper ){
int index = static_cast<int>(round( (r - vdwTaperCut)/delta));
//int index = static_cast<int>(round( (r - vdwTaperCut)/delta));
int index = static_cast<int>(floor( (r - vdwTaperCut)/delta));
if( index > taperTable.size()-2 ){
*taper = *dtaper = 0.0f;
} else if( index == 0){
......
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