diff --git a/doc/utils/check-styles.py b/doc/utils/check-styles.py index 4294f5a5bc..9633c1080f 100755 --- a/doc/utils/check-styles.py +++ b/doc/utils/check-styles.py @@ -256,12 +256,13 @@ print("Total number of style index entries:", total_index) skip_fix = ('python', 'NEIGH_HISTORY/omp','acks2/reax','qeq/reax','reax/c/bonds','reax/c/species') skip_pair = ('meam/c','lj/sf','reax/c') +skip_compute = ('pressure/cylinder') counter = 0 counter += check_style('Commands_all.rst', doc_dir, ":doc:`(.+) <.+>`",command,'Command',suffix=True) -counter += check_style('Commands_compute.rst', doc_dir, ":doc:`(.+) `",compute,'Compute',suffix=True) -counter += check_style('compute.rst', doc_dir, ":doc:`(.+) ` -",compute,'Compute',suffix=False) +counter += check_style('Commands_compute.rst', doc_dir, ":doc:`(.+) `",compute,'Compute',skip=skip_compute,suffix=True) +counter += check_style('compute.rst', doc_dir, ":doc:`(.+) ` -",compute,'Compute',skip=skip_compute,suffix=False) counter += check_style('Commands_fix.rst', doc_dir, ":doc:`(.+) `",fix,'Fix',skip=skip_fix,suffix=True) counter += check_style('fix.rst', doc_dir, ":doc:`(.+) ` -",fix,'Fix',skip=skip_fix,suffix=False) counter += check_style('Commands_pair.rst', doc_dir, ":doc:`(.+) `",pair,'Pair',skip=skip_pair,suffix=True) @@ -281,7 +282,7 @@ if counter: counter = 0 -counter += check_style_index("compute", compute, index["compute"]) +counter += check_style_index("compute", compute, index["compute"], skip=['pressure/cylinder']) counter += check_style_index("fix", fix, index["fix"], skip=['python','acks2/reax','qeq/reax','reax/c/bonds','reax/c/species']) counter += check_style_index("angle_style", angle, index["angle_style"]) counter += check_style_index("bond_style", bond, index["bond_style"]) diff --git a/src/EXTRA-COMPUTE/compute_stress_cartesian.cpp b/src/EXTRA-COMPUTE/compute_stress_cartesian.cpp index 476f89da1a..c9d8513622 100644 --- a/src/EXTRA-COMPUTE/compute_stress_cartesian.cpp +++ b/src/EXTRA-COMPUTE/compute_stress_cartesian.cpp @@ -359,7 +359,7 @@ void ComputeStressCartesian::compute_array() } void ComputeStressCartesian::compute_pressure_1d(double fpair, double xi, double xj, double delx, - double dely, double delz) + double dely, double delz) { int bin_s, bin_e, bin_step, bin, bin_limit; double xa, xb, l_sum; @@ -457,7 +457,7 @@ void ComputeStressCartesian::compute_pressure_1d(double fpair, double xi, double } void ComputeStressCartesian::compute_pressure_2d(double fpair, double xi, double yi, double xj, - double yj, double delx, double dely, double delz) + double yj, double delx, double dely, double delz) { int bin1, bin2, next_bin1, next_bin2; double la = 0.0, lb = 0.0, l_sum = 0.0; diff --git a/src/EXTRA-COMPUTE/compute_stress_cylinder.cpp b/src/EXTRA-COMPUTE/compute_stress_cylinder.cpp index 45cf8b54cd..c829871ccd 100644 --- a/src/EXTRA-COMPUTE/compute_stress_cylinder.cpp +++ b/src/EXTRA-COMPUTE/compute_stress_cylinder.cpp @@ -59,7 +59,7 @@ static const char cite_compute_stress_cylinder[] = cylindrical geometry, according to the formulation of Addington et al. (2018) +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -ComputeStressCyl::ComputeStressCyl(LAMMPS *lmp, int narg, char **arg) : +ComputeStressCylinder::ComputeStressCylinder(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), Pvr_temp(nullptr), Pvr_all(nullptr), Pvz_temp(nullptr), Pvz_all(nullptr), Pvphi_temp(nullptr), Pvphi_all(nullptr), R(nullptr), Rinv(nullptr), R2(nullptr), PrAinv(nullptr), PzAinv(nullptr), R2kin(nullptr), density_temp(nullptr), @@ -147,7 +147,7 @@ ComputeStressCyl::ComputeStressCyl(LAMMPS *lmp, int narg, char **arg) : /* ---------------------------------------------------------------------- */ -ComputeStressCyl::~ComputeStressCyl() +ComputeStressCylinder::~ComputeStressCylinder() { memory->destroy(array); if (kinetic_flag == 1) { @@ -181,7 +181,7 @@ ComputeStressCyl::~ComputeStressCyl() /* ---------------------------------------------------------------------- */ -void ComputeStressCyl::init() +void ComputeStressCylinder::init() { if (force->pair == nullptr) error->all(FLERR, "No pair style is defined for compute stress/cylinder"); @@ -224,7 +224,7 @@ void ComputeStressCyl::init() /* ---------------------------------------------------------------------- */ -void ComputeStressCyl::init_list(int /* id */, NeighList *ptr) +void ComputeStressCylinder::init_list(int /* id */, NeighList *ptr) { list = ptr; } @@ -238,7 +238,7 @@ void ComputeStressCyl::init_list(int /* id */, NeighList *ptr) if flag is set, compute requested info about pair ------------------------------------------------------------------------- */ -void ComputeStressCyl::compute_array() +void ComputeStressCylinder::compute_array() { invoked_array = update->ntimestep; @@ -556,7 +556,7 @@ void ComputeStressCyl::compute_array() /* ---------------------------------------------------------------------- memory usage of data ------------------------------------------------------------------------- */ -double ComputeStressCyl::memory_usage() +double ComputeStressCylinder::memory_usage() { double bytes = (3.0 * (double) nphi + 16.0 * (double) nbins + (5.0 + 3.0 * kinetic_flag) * (double) nbins) * diff --git a/src/EXTRA-COMPUTE/compute_stress_cylinder.h b/src/EXTRA-COMPUTE/compute_stress_cylinder.h index 04f1da943e..1a7ff874a6 100644 --- a/src/EXTRA-COMPUTE/compute_stress_cylinder.h +++ b/src/EXTRA-COMPUTE/compute_stress_cylinder.h @@ -13,7 +13,8 @@ #ifdef COMPUTE_CLASS // clang-format off -ComputeStyle(stress/cylinder,ComputeStressCyl); +ComputeStyle(stress/cylinder,ComputeStressCylinderinder); +ComputeStyle(pressure/cylinder,ComputeStressCylinderinder); // clang-format on #else @@ -24,10 +25,10 @@ ComputeStyle(stress/cylinder,ComputeStressCyl); namespace LAMMPS_NS { -class ComputeStressCyl : public Compute { +class ComputeStressCylinder : public Compute { public: - ComputeStressCyl(class LAMMPS *, int, char **); - ~ComputeStressCyl() override; + ComputeStressCylinder(class LAMMPS *, int, char **); + ~ComputeStressCylinder() override; void init() override; void init_list(int, class NeighList *) override; void compute_array() override;