lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9309 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2013-01-22 20:18:42 +00:00
parent cda07e598c
commit f0d36d98e9
3 changed files with 8 additions and 19 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
src/KSPACE/pppm.h
View File

@ -122,8 +122,8 @@ class PPPM : public KSpace {
double estimate_ik_error(double, double, bigint);
double compute_qopt();
void compute_gf_denom();
void compute_gf_ik();
void compute_gf_ad();
virtual void compute_gf_ik();
virtual void compute_gf_ad();
void compute_sf_precoeff();
virtual void particle_map();
@ -131,12 +131,12 @@ class PPPM : public KSpace {
virtual void brick2fft();
virtual void poisson();
void poisson_ik();
void poisson_ad();
virtual void poisson_ik();
virtual void poisson_ad();
virtual void fieldforce();
void fieldforce_ik();
void fieldforce_ad();
virtual void fieldforce_ik();
virtual void fieldforce_ad();
virtual void poisson_peratom();
virtual void fieldforce_peratom();

10
src/KSPACE/pppm_tip4p.cpp
View File

@ -162,16 +162,6 @@ void PPPMTIP4P::make_rho()
}
}
/* ----------------------------------------------------------------------
interpolate from grid to get electric field & force on my particles
------------------------------------------------------------------------- */
void PPPMTIP4P::fieldforce()
{
if (differentiation_flag == 1) fieldforce_ad();
else fieldforce_ik();
}
/* ----------------------------------------------------------------------
interpolate from grid to get electric field & force on my particles for ik
------------------------------------------------------------------------- */

5
src/KSPACE/pppm_tip4p.h
View File

@ -33,9 +33,8 @@ class PPPMTIP4P : public PPPM {
protected:
virtual void particle_map();
virtual void make_rho();
virtual void fieldforce();
void fieldforce_ik();
void fieldforce_ad();
virtual void fieldforce_ik();
virtual void fieldforce_ad();
virtual void fieldforce_peratom();
private: