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jngrad committed Nov 13, 2019
1 parent 5b59702 commit 520e48b
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Showing 8 changed files with 21 additions and 22 deletions.
2 changes: 1 addition & 1 deletion src/core/dpd.hpp
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Expand Up @@ -24,7 +24,7 @@
* Routines to use dpd as thermostat or pair force
* T. Soddemann, B. Duenweg and K. Kremer, Phys. Rev. E 68, 046702 (2003)
*
* Implementation in forces.cpp.
* Implementation in dpd.cpp.
*/

#include "config.hpp"
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10 changes: 5 additions & 5 deletions src/core/electrostatics_magnetostatics/icc.hpp
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Expand Up @@ -24,7 +24,7 @@
* of arbitrarily shaped dielectric interfaces. The dielectric
* properties of a dielectric medium in the bulk of the simulation
* box are taken into account by reproducing the jump in the electric
* field at the inface with charge surface segments. The charge
* field at the interface with charge surface segments. The charge
* density of the surface segments have to be determined
* self-consistently using an iterative scheme. It can at presently
* - despite its name - be used with P3M, ELCP3M, MMM2D and MMM1D. For
Expand Down Expand Up @@ -58,19 +58,19 @@
#include <ParticleRange.hpp>
#include <utils/Vector.hpp>

/* iccp3m data structures*/
/* ICCP3M data structure*/
struct iccp3m_struct {
int n_ic; /* Last induced id (can not be smaller then 2) */
int n_ic; /* Last induced id (cannot be smaller than 2) */
int num_iteration = 30; /* Number of max iterations */
double eout = 1; /* Dielectric constant of the bulk */
std::vector<double> areas; /* Array of area of the grid elements */
std::vector<double>
ein; /* Array of dielectric constants at each surface element */
std::vector<double> sigma; /* Surface Charge density */
std::vector<double> sigma; /* Surface charge density */
double convergence = 1e-2; /* Convergence criterion */
std::vector<Utils::Vector3d> normals; /* Surface normal vectors */
Utils::Vector3d ext_field = {0, 0, 0}; /* External field */
double relax = 0.7; /* relaxation parameter for iterative */
double relax = 0.7; /* relaxation parameter for iteration */
int citeration = 0; /* current number of iterations*/
int first_id = 0;

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5 changes: 2 additions & 3 deletions src/core/electrostatics_magnetostatics/mdlc_correction.cpp
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Expand Up @@ -466,8 +466,7 @@ double add_mdlc_energy_corrections(const ParticleRange &particles) {

/**
Subroutine to compute the cut-off (NCUT) necessary in the DLC dipolar part
to get a certain accuracy (acc). We assume particles to have all them a
same
to get a certain accuracy (acc). We assume particles to have all the same
value of the dipolar momentum modulus (mu_max). mu_max is taken as the
largest value of
mu inside the system. If we assume the gap has a width gap_size (within which
Expand All @@ -478,7 +477,7 @@ double add_mdlc_energy_corrections(const ParticleRange &particles) {
BE CAREFUL: (1) We assume the short distance for the slab to be in the Z
direction
(2) You must also tune the other 3D method to the same accuracy, otherwise
it has no sense to have a good accurate result for DLC-dipolar.
it makes no sense to have a good accurate result for DLC-dipolar.
*/
int mdlc_tune(double error) {
double de, n, gc, lz, lx, a, fa1, fa2, fa0, h;
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10 changes: 5 additions & 5 deletions src/core/electrostatics_magnetostatics/p3m-dipolar.cpp
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Expand Up @@ -198,7 +198,7 @@ static void dp3m_tune_aliasing_sums(int nx, int ny, int nz, int mesh,
double mesh_i, int cao, double alpha_L_i,
double *alias1, double *alias2);

// To compute the value of alpha through a bibisection method from the formula
// To compute the value of alpha through a bisection method from the formula
// 33 of JCP115,6351,(2001).
double dp3m_rtbisection(double box_size, double prefac, double r_cut_iL,
int n_c_part, double sum_q2, double x1, double x2,
Expand Down Expand Up @@ -550,8 +550,8 @@ int dp3m_set_mesh_offset(double x, double y, double z) {
}

/* We left the handling of the epsilon, due to portability reasons in
the future for the electrical dipoles, or if people wants to do
electrical dipoles alone using the magnetic code .. */
the future for the electrical dipoles, or if people want to do
electrical dipoles alone using the magnetic code. */

int dp3m_set_eps(double eps) {
dp3m.params.epsilon = eps;
Expand Down Expand Up @@ -2073,7 +2073,7 @@ void dp3m_tune_aliasing_sums(int nx, int ny, int nz, int mesh, double mesh_i,
// Ewald
// based on the formulas 33, the paper of Zuowei-HolmJCP, 115,6351,(2001).

// Please, notice than in this more refined approach we don't use
// Please note that in this more refined approach we don't use
// formulas 37, but 33 which maintains all the powers in alpha

//------------------------------------------------------------
Expand Down Expand Up @@ -2439,7 +2439,7 @@ void dp3m_scaleby_box_l() {

/*****************************************************************************/

/** function to give the dipolar-P3M energy correction */
/** Calculate the dipolar-P3M energy correction */
void dp3m_compute_constants_energy_dipolar() {
double Eself, Ukp3m;

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2 changes: 1 addition & 1 deletion src/core/electrostatics_magnetostatics/reaction_field.hpp
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Expand Up @@ -24,7 +24,7 @@
* Routines to calculate the Reaction Field Energy or/and force
* for a particle pair.
* M. Neumann, J. Chem. Phys 82, 5663 (1985)
* \ref forces.cpp
* \ref reaction_field.cpp
*
*/

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4 changes: 2 additions & 2 deletions src/core/immersed_boundary/ibm_tribend.cpp
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Expand Up @@ -143,8 +143,8 @@ int IBM_Tribend_SetParams(const int bond_type, const int ind1, const int ind2,
bonded_ia_params[bond_type].p.ibm_tribend.theta0 = theta0;
// NOTE: This is the bare bending modulus used by the program.
// If triangle pairs appear only once, the total bending force should get a
// factor 2 For the numerical model, a factor sqrt(3) should be added, see
// Gompper&Kroll J. Phys. 1996 and Krüger thesis This is an approximation,
// factor 2. For the numerical model, a factor sqrt(3) should be added, see
// Gompper&Kroll J. Phys. 1996 and Krüger thesis. This is an approximation,
// it holds strictly only for a sphere
bonded_ia_params[bond_type].p.ibm_tribend.kb = kb;
}
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6 changes: 3 additions & 3 deletions src/core/virtual_sites/lb_inertialess_tracers.cpp
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Expand Up @@ -66,7 +66,7 @@ bool in_local_domain(Utils::Vector3d const &pos) {
Puts the calculated force stored on the ibm particles into the fluid by
updating the lbfields structure
Calls couple_trace_to_fluid for each node
Called from the integrate loop right after the forces have been calculated
Called from the integration loop right after the forces have been calculated
*****************/

void IBM_ForcesIntoFluid_CPU() {
Expand Down Expand Up @@ -218,8 +218,8 @@ void GetIBMInterpolatedVelocity(const Utils::Vector3d &pos, double *v,
double local_density;
Utils::Vector3d local_j;

// This can be done easier without copying the code twice
// We probably can even set the boundary velocity directly
// This can be done more easily without copying the code twice.
// We probably can even set the boundary velocity directly.
#ifdef LB_BOUNDARIES
if (lbfields[index].boundary) {
local_density = lbpar.density;
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4 changes: 2 additions & 2 deletions src/core/virtual_sites/lb_inertialess_tracers_cuda.cu
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Expand Up @@ -68,7 +68,7 @@ extern LB_node_force_density_gpu node_f;
extern LB_nodes_gpu *current_nodes;

// ** These variables are static in lbgpu_cuda.cu, so we need to duplicate them
// here They are initialized in ForcesIntoFluid The pointers are on the host,
// here. They are initialized in ForcesIntoFluid. The pointers are on the host,
// but point into device memory
LB_parameters_gpu *para_gpu = nullptr;
float *lb_boundary_velocity_IBM = nullptr;
Expand Down Expand Up @@ -278,7 +278,7 @@ __device__ void Calc_m_from_n_IBM(const LB_nodes_gpu n_a,
/**************
ParticleVelocitiesFromLB_GPU
Calls a kernel function to interpolate the velocity at each IBM particle's
position Store velocity in the particle data structure
position. Store velocity in the particle data structure.
**************/

void ParticleVelocitiesFromLB_GPU(ParticleRange particles) {
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