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Searched defs:read_atoms (Results 1 – 16 of 16) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/tools/
H A Dpwi2xsf.f90466 subroutine read_atoms(nat,atm,coor) subroutine
471 & nat, &! number of atoms
472 & ipol,inat,len, &! counters
473 & string_length ! integer-function
475 & line*120 ! line of input
477 & atm(*) ! atomic symbols
479 & coor(3,*)
482 10 continue
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/io/
H A Dold.py234 def read_atoms(reader): function
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dreader_xyz.cpp194 void ReaderXYZ::read_atoms(int n, int nfield, double **fields) in read_atoms() function in ReaderXYZ
H A Dreader_native.cpp345 void ReaderNative::read_atoms(int n, int nfield, double **fields) in read_atoms() function in ReaderNative
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dreader_xyz.cpp169 void ReaderXYZ::read_atoms(int n, int nfield, double **fields) in read_atoms() function in ReaderXYZ
H A Dreader_native.cpp312 void ReaderNative::read_atoms(int n, int nfield, double **fields) in read_atoms() function in ReaderNative
H A Dread_dump.cpp689 void ReadDump::read_atoms() in read_atoms() function in ReadDump
/dports/science/lammps/lammps-stable_29Sep2021/src/MOLFILE/
H A Dreader_molfile.cpp331 void ReaderMolfile::read_atoms(int n, int nfield, double **fields) in read_atoms() function in ReaderMolfile
/dports/x11-wm/openbox/openbox-3.6/tools/obxprop/
H A Dobxprop.c167 gchar* read_atoms(Display *d, guchar *val, guint n) in read_atoms() function
/dports/science/lammps/lammps-stable_29Sep2021/src/ADIOS/
H A Dreader_adios.cpp476 void ReaderADIOS::read_atoms(int n, int nfield, double **fields) in read_atoms() function in ReaderADIOS
/dports/science/py-ase/ase-3.22.0/ase/io/
H A Dtrajectory.py335 def read_atoms(backend, function
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dresall.cpp126 static bool read_atoms(FILE* in, char* line, PreprocessResidue* r0, t_symtab* tab, PreprocessingAto… in read_atoms() function
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/
H A Dnwchem2qmc.cpp239 int read_atoms=0; in read_nwchem_out() local
H A Dsiesta2qmc.cpp476 void read_atoms(istream & is, vector <string> & currline, in read_atoms() function
/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A Dcalculator.py668 def read_atoms(cls, restart, **kwargs): member in Calculator
/dports/science/py-ase/ase-3.22.0/ase/calculators/vasp/
H A Dvasp.py530 def read_atoms(self, filename): member in Vasp