double convFactor = 1;
double k = 1000;
- gmx_int64_t seed = 93471803;
+ int64_t seed = 93471803;
params.dimParams.push_back(DimParams(convFactor, k, params.beta));
{
public:
//! Random seed for AWH MC sampling
- gmx_int64_t seed_;
+ int64_t seed_;
//! Coordinates representing a trajectory in time
std::vector<double> coordinates_;
double coordMaxValue = 0;
double potentialJump = 0;
- gmx_int64_t step = 0;
+ int64_t step = 0;
for (auto &coord : coordinates_)
{
coordMaxValue = std::max(coordMaxValue, std::abs(coord));
* coordinate range in a semi-realistic way. The period is 4*pi=12.57.
* We get out of the initial stage after 4 coverings at step 300.
*/
- const gmx_int64_t exitStepRef = 300;
+ const int64_t exitStepRef = 300;
const double midPoint = 0.5*(awhDimParams.end + awhDimParams.origin);
const double halfWidth = 0.5*(awhDimParams.end - awhDimParams.origin);
bool inInitialStage = bias.state().inInitialStage();
/* Normally this loop exits at exitStepRef, but we extend with failure */
- gmx_int64_t step;
+ int64_t step;
for (step = 0; step <= 2*exitStepRef; step++)
{
double t = step*mdTimeStep;