#include "AtomNumber.h"#include "Vector.h"#include "Tensor.h"#include "small_vector/small_vector.h"#include <string_view>#include <vector>#include <string>#include <cctype>#include <cstdio>#include <cmath>#include <limits>#include <algorithm>#include <sstream>#include <memory>#include <cstddef>#include <queue>#include <mutex>#include <filesystem>#include <utility>#include <unordered_map>#include <map>#include <condition_variable>#include <type_traits>Classes | |
| class | PLMD::Tools::CriticalSectionWithKey< Key > |
| Utility to create named critical sections Key should be usable in a std::map. More... | |
| class | PLMD::Tools::DirectoryChanger |
| Tiny class that changes directory and comes back when going out of scope. More... | |
| class | PLMD::Tools::FastStringUnorderedMap< T > |
| Tiny class implementing faster std::string_view access to an unordered_map It exposes a limited number of methods of std::unordered_map. More... | |
| class | PLMD::Tools::CriticalSectionWithKey< Key >::Handler |
| class | PLMD::Tools |
| Empty class which just contains several (static) tools. More... | |
Namespaces | |
| namespace | PLMD |
Functions | |
| constexpr double | PLMD::dp2cutoff (6.25) |
| static bool | PLMD::dp2cutoffNoStretch () |
| constexpr double | PLMD::epsilon (std::numeric_limits< double >::epsilon()) |
| Very small non-zero number. | |
| constexpr double | PLMD::kBoltzmann (0.0083144621) |
| Boltzman constant in kj/K. | |
| constexpr double | PLMD::pi (3.141592653589793238462643383279502884197169399375105820974944592307) |
| PI. | |
Variables | |
| constexpr double | PLMD::dp2cutoffA =1.00193418799744762399 |
| constexpr double | PLMD::dp2cutoffB =-.00193418799744762399 |
| constexpr double | PLMD::halfpi =PLMD::pi*0.5 |
| PI / 2. | |
| constexpr double | PLMD::twopi =PLMD::pi*2.0 |
| PI * 2. | |
Hosted by GitHub
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1.13.2
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