Home
last modified time | relevance | path

Searched defs:minimum_image (Results 1 – 19 of 19) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/NEB/src/
H A Dpath_input_parameters_module.f9091 LOGICAL :: minimum_image = .false. variable
137 path_thr, fixed_tan, use_freezing, minimum_image, & local
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddomain.cpp780 void Domain::minimum_image(double &dx, double &dy, double &dz) in minimum_image() function in Domain
842 void Domain::minimum_image(double *delta) in minimum_image() function in Domain
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_operators_ao.F800 SUBROUTINE p_xyz_ao(op, qs_env, minimum_image) argument
804 LOGICAL, INTENT(IN), OPTIONAL :: minimum_image local
1066 SUBROUTINE rRc_xyz_ao(op, qs_env, rc, order, minimum_image, soft) argument
1072 LOGICAL, INTENT(IN), OPTIONAL :: minimum_image, soft local
1327 SUBROUTINE rRc_xyz_der_ao(op, op_der, qs_env, rc, order, minimum_image, soft) argument
1334 LOGICAL, INTENT(IN), OPTIONAL :: minimum_image, soft local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_operators_ao.F800 SUBROUTINE p_xyz_ao(op, qs_env, minimum_image) argument
804 LOGICAL, INTENT(IN), OPTIONAL :: minimum_image local
1066 SUBROUTINE rRc_xyz_ao(op, qs_env, rc, order, minimum_image, soft) argument
1072 LOGICAL, INTENT(IN), OPTIONAL :: minimum_image, soft local
1327 SUBROUTINE rRc_xyz_der_ao(op, op_der, qs_env, rc, order, minimum_image, soft) argument
1334 LOGICAL, INTENT(IN), OPTIONAL :: minimum_image, soft local
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Ddomain.cpp982 void Domain::minimum_image(double &dx, double &dy, double &dz) in minimum_image() function in Domain
1051 void Domain::minimum_image(double *delta) in minimum_image() function in Domain
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/system/
H A DPeriodic_sample.cpp259 doublevar Periodic_sample::minimum_image(Array1 <doublevar> & r) { in minimum_image() function in Periodic_sample
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dneigh_bond_kokkos.cpp1134 void NeighBondKokkos<DeviceType>::minimum_image(X_FLOAT &dx, X_FLOAT &dy, X_FLOAT &dz) const in minimum_image() function in NeighBondKokkos
H A Dfix_shake_kokkos.cpp1796 void FixShakeKokkos<DeviceType>::minimum_image(double *delta) const in minimum_image() function in FixShakeKokkos
/dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/lib/include/
H A Dcalc_distances.h34 static void minimum_image(double *x, float *box, float *inverse_box) in minimum_image() function
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/
H A Dcrm_cuda_utils.cu866 static inline __device__ void minimum_image(X_FLOAT4 &delta) in minimum_image() function
H A Dfix_shake_cuda_kernel.cu59 inline __device__ void minimum_image(X_FLOAT3 &delta) in minimum_image() function
/dports/graphics/ImageMagick6-nox11/ImageMagick-6.9.12-34/wand/
H A Ddeprecate.c1748 *minimum_image; in MagickMinimumImages() local
H A Dmogrify.c8520 *minimum_image; in MogrifyImageList() local
/dports/graphics/ImageMagick6/ImageMagick-6.9.12-34/wand/
H A Ddeprecate.c1748 *minimum_image; in MagickMinimumImages() local
H A Dmogrify.c8520 *minimum_image; in MogrifyImageList() local
/dports/graphics/ImageMagick7/ImageMagick-7.1.0-19/MagickWand/
H A Dmogrify.c8720 *minimum_image; in MogrifyImageList() local
/dports/graphics/ImageMagick7-nox11/ImageMagick-7.1.0-19/MagickWand/
H A Dmogrify.c8720 *minimum_image; in MogrifyImageList() local
/dports/science/lammps/lammps-stable_29Sep2021/lib/atc/
H A DLammpsInterface.cpp561 void LammpsInterface::minimum_image(double & dx, double & dy, double & dz) const { in minimum_image() function in ATC::LammpsInterface
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/atc/
H A DLammpsInterface.cpp533 void LammpsInterface::minimum_image(double & dx, double & dy, double & dz) const { in minimum_image() function in ATC::LammpsInterface