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Searched defs:atom_pos (Results 1 – 25 of 62) sorted by relevance

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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dintegration_grid_types.F29 REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: atom_pos component
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dintegration_grid_types.F29 REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: atom_pos component
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A DldaU.f90154 REAL(DP), ALLOCATABLE :: atom_pos(:,:) variable
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/colvars/
H A Dcolvarmodule.h75 typedef rvector atom_pos; typedef
/dports/science/lammps/lammps-stable_29Sep2021/lib/colvars/
H A Dcolvarmodule.h204 typedef rvector atom_pos; typedef
H A Dcolvarproxy.cpp301 std::vector<cvm::atom_pos> & /* pos */, in load_coords()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/grids/
H A Dvxc_grid.cc198 const Eigen::Vector3d& atom_pos = atoms[i].getPos(); in CalcDistanceAtomsGridpoints() local
/dports/lang/erlang-runtime24/otp-OTP-24.1.7/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-runtime23/otp-OTP-23.3.4.10/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-runtime22/otp-OTP-22.3.4.24/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-wx/otp-OTP-24.1.7/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang/otp-OTP-24.1.7/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-java/otp-OTP-24.1.7/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-runtime21/otp-OTP-21.3.8.24/lib/compiler/test/inline_SUITE_data/
H A Dpseudoknot.erl2190 atom_pos(Atom, {I,T,N}) -> function
/dports/biology/molden/molden5.8/surf/
H A Dcompute.c74 int atom_pos[3]; in compute_extents() local
/dports/lang/erlang-runtime23/otp-OTP-23.3.4.10/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-runtime24/otp-OTP-24.1.7/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-runtime22/otp-OTP-22.3.4.24/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-wx/otp-OTP-24.1.7/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang/otp-OTP-24.1.7/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-java/otp-OTP-24.1.7/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/lang/erlang-runtime21/otp-OTP-21.3.8.24/erts/emulator/test/
H A Dpseudoknot_SUITE.erl2789 atom_pos(Atom, {I,T,N}) -> function
/dports/science/drawxtl/DRAWxtl/source/DRAWxtl55/
H A DRead_Input.cxx869 char atom_pos[3][30]; in read_inp() local
/dports/multimedia/mkvtoolnix/mkvtoolnix-65.0.0/src/input/
H A Dr_qtmp4.cpp170 uint64_t atom_pos = m_in->getFilePointer(); in probe_file() local
218 …static auto test_atom_at = [this](uint64_t atom_pos, uint64_t expected_hsize, fourcc_c const &expe… in resync_to_top_level_atom()
/dports/lang/gambit-c/gambit-4.9.3/bench/src/
H A Dnucleic.c2749 #define atom_pos(atom,var,pos)\ macro

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