Skip to content

Commit

Permalink
Merge pull request #1562 from athomps/langevin-rm-notemplate
Browse files Browse the repository at this point in the history
Removed TEMPLATED_FIX_LANGEVIN ifdef and untemplated version of fix langevin
  • Loading branch information
akohlmey committed Jul 12, 2019
2 parents 3e90b82 + 08ed046 commit 61220f9
Show file tree
Hide file tree
Showing 2 changed files with 1 addition and 18 deletions.
11 changes: 0 additions & 11 deletions src/fix_langevin.cpp
Expand Up @@ -304,7 +304,6 @@ void FixLangevin::post_force(int /*vflag*/)
// this avoids testing them inside inner loop:
// TSTYLEATOM, GJF, TALLY, BIAS, RMASS, ZERO

#ifdef TEMPLATED_FIX_LANGEVIN
if (tstyle == ATOM)
if (gjfflag)
if (tallyflag)
Expand Down Expand Up @@ -431,10 +430,6 @@ void FixLangevin::post_force(int /*vflag*/)
else
if (zeroflag) post_force_templated<0,0,0,0,0,1>();
else post_force_templated<0,0,0,0,0,0>();
#else
post_force_untemplated(int(tstyle==ATOM), gjfflag, tallyflag,
int(tbiasflag==BIAS), int(rmass!=NULL), zeroflag);
#endif
}

/* ---------------------------------------------------------------------- */
Expand All @@ -448,15 +443,9 @@ void FixLangevin::post_force_respa(int vflag, int ilevel, int /*iloop*/)
modify forces using one of the many Langevin styles
------------------------------------------------------------------------- */

#ifdef TEMPLATED_FIX_LANGEVIN
template < int Tp_TSTYLEATOM, int Tp_GJF, int Tp_TALLY,
int Tp_BIAS, int Tp_RMASS, int Tp_ZERO >
void FixLangevin::post_force_templated()
#else
void FixLangevin::post_force_untemplated
(int Tp_TSTYLEATOM, int Tp_GJF, int Tp_TALLY,
int Tp_BIAS, int Tp_RMASS, int Tp_ZERO)
#endif
{
double gamma1,gamma2;

Expand Down
8 changes: 1 addition & 7 deletions src/fix_langevin.h
Expand Up @@ -72,16 +72,10 @@ class FixLangevin : public Fix {
class RanMars *random;
int seed;

// comment next line to turn off templating
#define TEMPLATED_FIX_LANGEVIN
#ifdef TEMPLATED_FIX_LANGEVIN
template < int Tp_TSTYLEATOM, int Tp_GJF, int Tp_TALLY,
int Tp_BIAS, int Tp_RMASS, int Tp_ZERO >
void post_force_templated();
#else
void post_force_untemplated(int, int, int,
int, int, int);
#endif

void omega_thermostat();
void angmom_thermostat();
void compute_target();
Expand Down

0 comments on commit 61220f9

Please sign in to comment.