/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
static inline void setPbcAiuc(int numPbcDim, const matrix box, PbcAiuc* pbcAiuc)
{
- pbcAiuc->invBoxDiagZ = 0.0f;
- pbcAiuc->boxZX = 0.0f;
- pbcAiuc->boxZY = 0.0f;
- pbcAiuc->boxZZ = 0.0f;
- pbcAiuc->invBoxDiagY = 0.0f;
- pbcAiuc->boxYX = 0.0f;
- pbcAiuc->boxYY = 0.0f;
- pbcAiuc->invBoxDiagX = 0.0f;
- pbcAiuc->boxXX = 0.0f;
+ pbcAiuc->invBoxDiagZ = 0.0F;
+ pbcAiuc->boxZX = 0.0F;
+ pbcAiuc->boxZY = 0.0F;
+ pbcAiuc->boxZZ = 0.0F;
+ pbcAiuc->invBoxDiagY = 0.0F;
+ pbcAiuc->boxYX = 0.0F;
+ pbcAiuc->boxYY = 0.0F;
+ pbcAiuc->invBoxDiagX = 0.0F;
+ pbcAiuc->boxXX = 0.0F;
if (numPbcDim > ZZ)
{
- pbcAiuc->invBoxDiagZ = 1.0f / box[ZZ][ZZ];
+ pbcAiuc->invBoxDiagZ = 1.0F / box[ZZ][ZZ];
pbcAiuc->boxZX = box[ZZ][XX];
pbcAiuc->boxZY = box[ZZ][YY];
pbcAiuc->boxZZ = box[ZZ][ZZ];
}
if (numPbcDim > YY)
{
- pbcAiuc->invBoxDiagY = 1.0f / box[YY][YY];
+ pbcAiuc->invBoxDiagY = 1.0F / box[YY][YY];
pbcAiuc->boxYX = box[YY][XX];
pbcAiuc->boxYY = box[YY][YY];
}
if (numPbcDim > XX)
{
- pbcAiuc->invBoxDiagX = 1.0f / box[XX][XX];
+ pbcAiuc->invBoxDiagX = 1.0F / box[XX][XX];
pbcAiuc->boxXX = box[XX][XX];
}
}