#include <cstdio>
#include <filesystem>
#include <iomanip>
#include <boost/algorithm/string.hpp>
#include <boost/format.hpp>
#include <stdexcept>
#include <string>
#include <votca/tools/elements.h>
#include <votca/tools/getline.h>
#include "votca/tools/globals.h"
#include "votca/tools/tokenizer.h"
#include "votca/xtp/basisset.h"
#include "votca/xtp/ecpaobasis.h"
#include "votca/xtp/molden.h"
#include "votca/xtp/orbitals.h"
#include <spawn.h>
#include <sys/wait.h>
#include <unistd.h>
#include "orca.h"
Go to the source code of this file.
|
| namespace | votca |
| | Provides a means for comparing floating point numbers.
|
| namespace | votca::xtp |
| | Charge transport classes.
|
◆ environ