public:
//! Trivial constructor.
BoxDeformation(double timeStep,
- gmx_int64_t initialStep,
+ int64_t initialStep,
const tensor &deformationTensor,
const matrix &referenceBox);
//! Deform \c x and \c box at this \c step;
void apply(ArrayRef<RVec> x,
matrix box,
- gmx_int64_t step);
+ int64_t step);
private:
//! The integrator time step.
double timeStep_;
//! The initial step number (from the .tpr, which permits checkpointing to work correctly).
- gmx_int64_t initialStep_;
+ int64_t initialStep_;
//! Non-zero elements provide a scaling factor for deformation in that box dimension.
tensor deformationTensor_;
//! The initial box, ie from the .tpr file.