Unverified Commit 01d2fae9 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1992 from akohlmey/collected-small-changes 

Recover cross compilation with MinGW
parents 2321789d 6929b3ca

lib/colvars/lepton/src/MSVC_erfc.h

+5 −1
Original line number Diff line number Diff line
@@ -8,9 +8,13 @@ 
 * (VC11 has _MSC_VER=1700).

 */



#if defined(_MSC_VER)

#if defined(_MSC_VER) || defined(__MINGW32__)

#if !defined(M_PI)

#define M_PI 3.14159265358979323846264338327950288

#endif

#endif



#if defined(_MSC_VER)

#if _MSC_VER <= 1700 // 1700 is VC11, 1800 is VC12

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

*   erf.cpp

src/GRANULAR/fix_wall_gran.cpp

+7 −7
Original line number Diff line number Diff line
@@ -1134,15 +1134,15 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz, 
    t2 = 8*dR*dR2*E*E*E;

    t3 = 4*dR2*E;

    sqrt1 = MAX(0, t0*(t1+2*t2)); // in case sqrt(0) < 0 due to precision issues

    t4 = cbrt(t1+t2+THREEROOT3*M_PI*sqrt(sqrt1));

    t4 = cbrt(t1+t2+THREEROOT3*MY_PI*sqrt(sqrt1));

    t5 = t3/t4 + t4/E;

    sqrt2 = MAX(0, 2*dR + t5);

    t6 = sqrt(sqrt2);

    sqrt3 = MAX(0, 4*dR - t5 + SIXROOT6*coh*M_PI*R2/(E*t6));

    sqrt3 = MAX(0, 4*dR - t5 + SIXROOT6*coh*MY_PI*R2/(E*t6));

    a = INVROOT6*(t6 + sqrt(sqrt3));

    a2 = a*a;

    knfac = normal_coeffs[0]*a;

    Fne = knfac*a2/Reff - TWOPI*a2*sqrt(4*coh*E/(M_PI*a));

    Fne = knfac*a2/Reff - TWOPI*a2*sqrt(4*coh*E/(MY_PI*a));

  } else {

    knfac = E; //Hooke

    a = sqrt(dR);
@@ -1192,11 +1192,11 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz, 
  vrel = sqrt(vrel);



  if (normal_model == JKR) {

    F_pulloff = 3*M_PI*coh*Reff;

    F_pulloff = 3*MY_PI*coh*Reff;

    Fncrit = fabs(Fne + 2*F_pulloff);

  }

  else if (normal_model == DMT) {

    F_pulloff = 4*M_PI*coh*Reff;

    F_pulloff = 4*MY_PI*coh*Reff;

    Fncrit = fabs(Fne + 2*F_pulloff);

  }

  else{
@@ -1589,8 +1589,8 @@ double FixWallGran::pulloff_distance(double radius) 
  double coh, E, a, dist;

  coh = normal_coeffs[3];

  E = normal_coeffs[0]*THREEQUARTERS;

  a = cbrt(9*M_PI*coh*radius/(4*E));

  dist = a*a/radius - 2*sqrt(M_PI*coh*a/E);

  a = cbrt(9*MY_PI*coh*radius/(4*E));

  dist = a*a/radius - 2*sqrt(MY_PI*coh*a/E);

  return dist;

}

src/PERI/pair_peri_eps.cpp

+3 −1
Original line number Diff line number Diff line
@@ -30,10 +30,12 @@ 
#include "neighbor.h"

#include "neigh_list.h"

#include "memory.h"

#include "math_const.h"

#include "error.h"

#include "utils.h"



using namespace LAMMPS_NS;

using namespace MathConst;



/* ---------------------------------------------------------------------- */
@@ -272,7 +274,7 @@ void PairPeriEPS::compute(int eflag, int vflag) 
    double horizon = cut[itype][itype];

    double tdnorm = compute_DeviatoricForceStateNorm(i);

    double pointwiseYieldvalue = 25.0 * yieldStress *

                            yieldStress / 8 / M_PI / pow(horizon,5);

                            yieldStress / 8 / MY_PI / pow(horizon,5);





    double fsurf = (tdnorm * tdnorm)/2 - pointwiseYieldvalue;

src/USER-INTEL/pair_airebo_intel.cpp

+6 −6
Original line number Diff line number Diff line
@@ -49,8 +49,10 @@ 
#include "kspace.h"

#include "modify.h"

#include "suffix.h"

#include "math_const.h"



using namespace LAMMPS_NS;

using namespace MathConst;



#ifdef __INTEL_OFFLOAD

#pragma offload_attribute(push, target(mic))
@@ -637,8 +639,6 @@ namespace overloaded { 
    compared to original code.

   ---------------------------------------------------------------------- */



#define M_PI           3.14159265358979323846  /* pi */



#define CARBON 0

#define HYDROGEN 1

#define TOL 1.0e-9
@@ -662,8 +662,8 @@ inline flt_t Sp(flt_t r, flt_t lo, flt_t hi, flt_t * del) { 
    if (del) *del = 0;

    return 0;

  } else {

    t *= static_cast<flt_t>(M_PI);

    if (del) *del = static_cast<flt_t>(-0.5 * M_PI)

    t *= static_cast<flt_t>(MY_PI);

    if (del) *del = static_cast<flt_t>(-0.5 * MY_PI)

                  * overloaded::sin(t) / (hi - lo);

    return static_cast<flt_t>(0.5) * (1 + overloaded::cos(t));

  }
@@ -2248,7 +2248,7 @@ static fvec aut_Sp_deriv(fvec r, fvec lo, fvec hi, fvec * d) { 
  fvec c_1 = fvec::set1(1);

  fvec c_0_5 = fvec::set1(0.5);

  fvec c_m0_5 = fvec::set1(-0.5);

  fvec c_PI = fvec::set1(M_PI);

  fvec c_PI = fvec::set1(MY_PI);

  bvec m_lo = fvec::cmple(r, lo);

  bvec m_hi = fvec::cmpnlt(r, hi); // nlt == ge

  bvec m_tr = bvec::kandn(m_lo, ~ m_hi);
@@ -2273,7 +2273,7 @@ static fvec aut_Sp_deriv(fvec r, fvec lo, fvec hi, fvec * d) { 
static fvec aut_mask_Sp(bvec mask, fvec r, fvec lo, fvec hi) {

  fvec c_1 = fvec::set1(1);

  fvec c_0_5 = fvec::set1(0.5);

  fvec c_PI = fvec::set1(M_PI);

  fvec c_PI = fvec::set1(MY_PI);

  bvec m_lo = fvec::mask_cmple(mask, r, lo);

  bvec m_hi = fvec::mask_cmpnlt(mask, r, hi); // nlt == ge

  bvec m_tr = bvec::kandn(m_lo, bvec::kandn(m_hi, mask));

src/USER-MISC/fix_pimd.cpp

+7 −5
Original line number Diff line number Diff line
@@ -32,11 +32,13 @@ 
#include "atom.h"

#include "domain.h"

#include "update.h"

#include "math_const.h"

#include "memory.h"

#include "error.h"



using namespace LAMMPS_NS;

using namespace FixConst;

using namespace MathConst;



enum{PIMD,NMPIMD,CMD};
@@ -165,7 +167,7 @@ void FixPIMD::init() 
  const double Boltzmann = 1.3806488E-23;    // SI unit: J/K

  const double Plank     = 6.6260755E-34;    // SI unit: m^2 kg / s



  double hbar = Plank / ( 2.0 * M_PI ) * sp;

  double hbar = Plank / ( 2.0 * MY_PI ) * sp;

  double beta = 1.0 / ( Boltzmann * input.nh_temp);



  // - P / ( beta^2 * hbar^2)   SI unit: s^-2
@@ -181,7 +183,7 @@ void FixPIMD::init() 
  const double Boltzmann = force->boltz;

  const double Plank     = force->hplanck;



  double hbar   = Plank / ( 2.0 * M_PI );

  double hbar   = Plank / ( 2.0 * MY_PI );

  double beta   = 1.0 / (Boltzmann * nhc_temp);

  double _fbond = 1.0 * np / (beta*beta*hbar*hbar) ;
@@ -429,7 +431,7 @@ void FixPIMD::nmpimd_init() 


  for(int i=2; i<=np/2; i++)

  {

    lam[2*i-3] = lam[2*i-2] = 2.0 * np * (1.0 - 1.0 *cos(2.0*M_PI*(i-1)/np));

    lam[2*i-3] = lam[2*i-2] = 2.0 * np * (1.0 - 1.0 *cos(2.0*MY_PI*(i-1)/np));

  }



  // Set up eigenvectors for non-degenerated modes
@@ -444,8 +446,8 @@ void FixPIMD::nmpimd_init() 


  for(int i=0; i<(np-1)/2; i++) for(int j=0; j<np; j++)

  {

    M_x2xp[2*i+1][j] =   sqrt(2.0) * cos ( 2.0 * M_PI * (i+1) * j / np) / np;

    M_x2xp[2*i+2][j] = - sqrt(2.0) * sin ( 2.0 * M_PI * (i+1) * j / np) / np;

    M_x2xp[2*i+1][j] =   sqrt(2.0) * cos ( 2.0 * MY_PI * (i+1) * j / np) / np;

    M_x2xp[2*i+2][j] = - sqrt(2.0) * sin ( 2.0 * MY_PI * (i+1) * j / np) / np;

  }



  // Set up Ut

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