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[plotvasp] Fix #74 compilation error on clang

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- fabs for complex ? It is not defined.
- replaced by std::abs.
- How could the code compile before ?
This commit is contained in:
Olivier Parcollet 2017-04-05 20:57:45 +02:00
parent c49c82453a
commit d25bd40560
1 changed files with 21 additions and 21 deletions
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42
c++/plovasp/atm/dos_tetra3d.cpp
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@ -117,12 +117,12 @@ array<double, 2> dos_tetra_weights_3d(array<double, 1> eigk, double en, array<lo
ci_sum += ci[i];
flag = dos_tet_weights(en, eigs, inds, &ct);
if(fabs(ct - ci_sum) > tol)
if(std::abs(ct - ci_sum) > tol)
{
std::cout << " *** Error in weights: it = " << it <<" flag = " << flag << ", en = " << en;
for(i = 0; i < 4; i++)
std::cout << ", e[" << i << "] = " << eigs[i];
std::cout << ", c_diff = " << fabs(ct - ci_sum) << std::endl;
std::cout << ", c_diff = " << std::abs(ct - ci_sum) << std::endl;
TRIQS_RUNTIME_ERROR << " Failed consistency check";
}
@ -172,12 +172,12 @@ array<double, 2> dos_tetra_weights_3d(array<double, 1> eigk, double en, array<lo
// ci_sum += ci[i];
//
// flag = dos_tet_weights(en, eigs, inds, &ct);
// if(fabs(ct - ci_sum) > tol)
// if(std::abs(ct - ci_sum) > tol)
// {
// std::cout << " *** Error in weights: it = " << it <<" flag = " << flag << ", en = " << en;
// for(i = 0; i < 4; i++)
// std::cout << ", e[" << i << "] = " << eigs[i];
// std::cout << ", c_diff = " << fabs(ct - ci_sum) << std::endl;
// std::cout << ", c_diff = " << std::abs(ct - ci_sum) << std::endl;
// return;
// }
//#endif
@ -252,12 +252,12 @@ int dos_tet_weights(double en, double *eigs, int *inds,
{
// E1 <= E <= E2
case 1:
if(fabs(e2 - e1) > tol && fabs(e3 - e1) > tol && fabs(e4 - e1) > tol)
if(std::abs(e2 - e1) > tol && std::abs(e3 - e1) > tol && std::abs(e4 - e1) > tol)
*ct = 3.0 * (en - e1) * (en - e1) / ((e2 - e1) * (e3 - e1) * (e4 - e1));
else
{
s = fmin(fabs(e1 - e2), fabs(e3 - e1));
s = fmin(fabs(s), fabs(e4 - e1));
s = fmin(std::abs(e1 - e2), std::abs(e3 - e1));
s = fmin(std::abs(s), std::abs(e4 - e1));
s /= 100.0;
s = fmax(std::abs(s), 1.0e-20) * I;
@ -268,15 +268,15 @@ int dos_tet_weights(double en, double *eigs, int *inds,
// E2 <= E <= E3
case 2:
if(fabs(e4 - e2) > tol && fabs(e3 - e2) > tol && fabs(e4 - e1) > tol && fabs(e3 - e1) > tol)
if(std::abs(e4 - e2) > tol && std::abs(e3 - e2) > tol && std::abs(e4 - e1) > tol && std::abs(e3 - e1) > tol)
*ct = 3.0 * (
(e3 - en) * (en - e2) / ((e4 - e2) * (e3 - e2) * (e3 - e1)) +
(e4 - en) * (en - e1) / ((e4 - e1) * (e4 - e2) * (e3 - e1)));
else
{
s = fmin(fabs(e3 - e2), fabs(e3 - e1));
s = fmin(fabs(s), fabs(e4 - e1));
s = fmin(fabs(s), fabs(e4 - e2));
s = fmin(std::abs(e3 - e2), std::abs(e3 - e1));
s = fmin(std::abs(s), std::abs(e4 - e1));
s = fmin(std::abs(s), std::abs(e4 - e2));
s /= 100.0;
s = fmax(std::abs(s), 1.0e-20) * I;
@ -288,12 +288,12 @@ int dos_tet_weights(double en, double *eigs, int *inds,
// E3 <= E <= E4
case 3:
if(fabs(e4 - e2) > tol && fabs(e4 - e3) > tol && fabs(e4 - e1) > tol)
if(std::abs(e4 - e2) > tol && std::abs(e4 - e3) > tol && std::abs(e4 - e1) > tol)
*ct = 3.0 * (e4 - en) * (e4 - en) / ((e4 - e1) * (e4 - e2) * (e4 - e3));
else
{
s = fmin(fabs(e4 - e2), fabs(e4 - e1));
s = fmin(fabs(s), fabs(e4 - e3));
s = fmin(std::abs(e4 - e2), std::abs(e4 - e1));
s = fmin(std::abs(s), std::abs(e4 - e3));
s /= 100.0;
s = fmax(std::abs(s), 1.0e-20) * I;
@ -332,7 +332,7 @@ int dos_reorder(double en, double *e, int *inds)
for(i = 0; i < 4; i++)
e[i] = e_tmp[inds[i]];
if((e[0] <= en && en <= e[3]) && fabs(e[3] - e[0]) < tol) return 6;
if((e[0] <= en && en <= e[3]) && std::abs(e[3] - e[0]) < tol) return 6;
if(e[0] <= en && en <= e[1]) return 1;
if(e[1] <= en && en <= e[2]) return 2;
if(e[2] <= en && en <= e[3]) return 3;
@ -432,12 +432,12 @@ static double F(double en, double e1, double e2, double e3, double e4)
{
std::complex<double> s;
if(fabs(e1 - e3) > tol && fabs(e4 - e2) > tol)
if(std::abs(e1 - e3) > tol && std::abs(e4 - e2) > tol)
return (e1 - en) * (en - e2) / ((e1 - e3) * (e4 - e2));
else
{
// Regularization to avoid division by zero
s = fmin(fabs(e3 - e1), fabs(e4 - e2));
s = fmin(std::abs(e3 - e1), std::abs(e4 - e2));
s /= 100.0;
s = fmax(std::abs(s), 1.0e-20) * I;
@ -449,12 +449,12 @@ static double K2(double en, double e1, double e2, double e3)
{
std::complex<double> s;
if(fabs(e1 - e3) > tol && fabs(e1 - e2) > tol)
if(std::abs(e1 - e3) > tol && std::abs(e1 - e2) > tol)
return (en - e1) / ((e2 - e1) * (e3 - e1));
else
{
// Regularization to avoid division by zero
s = fmin(fabs(e3 - e1), fabs(e1 - e2));
s = fmin(std::abs(e3 - e1), std::abs(e1 - e2));
s /= 100.0;
s = fmax(std::abs(s), 1.0e-20) * I;
@ -466,12 +466,12 @@ static double K1(double en, double e1, double e2)
{
std::complex<double> s;
if(fabs(e1 - e2) > tol)
if(std::abs(e1 - e2) > tol)
return (e1 - en) / ((e2 - e1) * (e2 - e1));
else
{
// Regularization to avoid division by zero
s = fabs(e1 - e2);
s = std::abs(e1 - e2);
s /= 100.0;
s = fmax(std::abs(s), 1.0e-20) * I;