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Merge pull request #1562 from athomps/langevin-rm-notemplate 

Removed TEMPLATED_FIX_LANGEVIN ifdef and untemplated version of fix langevin
This commit is contained in:
Axel Kohlmeyer 2019-07-12 19:58:34 -04:00 committed by GitHub
parent 3e90b82c8e 08ed046a69
commit 61220f9b6c
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GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 1 additions and 18 deletions
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11
src/fix_langevin.cpp
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@ -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)
@ -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
}
/* ---------------------------------------------------------------------- */
@ -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;

8
src/fix_langevin.h
View File

@ -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();