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silence compiler warnings, remove dead code

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Axel Kohlmeyer
2024-10-04 18:09:06 -04:00
parent 2c738669ff
commit 47b918499f
1 changed files with 1 additions and 10 deletions
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11
src/QEQ/fix_qeq_ctip.cpp
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@ -241,11 +241,9 @@ void FixQEqCTIP::init_matvec()
double r = cutoff;
double rsq = r*r;
double r6 = rsq*rsq*rsq;
double erfcd_cut = exp(-cdamp * cdamp * rsq);
double t_cut = 1.0 / (1.0 + EWALD_P * cdamp * r);
double erfcc_cut = (t_cut * (A1 + t_cut * (A2 + t_cut * (A3 + t_cut * (A4 + t_cut * A5)))) * erfcd_cut) / r;
inum = list->inum;
ilist = list->ilist;
@ -285,9 +283,8 @@ void FixQEqCTIP::compute_H()
int inum, jnum, *ilist, *jlist, *numneigh, **firstneigh;
int i, j, ii, jj;
double dx, dy, dz, r_sqr, r, reff;
double cutoffsq, cutoffcu, cutoff4, cdampcu, erfcc_cut, erfcd_cut, t_cut;
double cutoffsq, erfcd_cut, t_cut;
double erfcc, erfcd, t;
int elt1, elt2;
double **x = atom->x;
int *mask = atom->mask;
@ -299,14 +296,8 @@ void FixQEqCTIP::compute_H()
firstneigh = list->firstneigh;
cutoffsq = cutoff * cutoff;
cutoffcu = cutoffsq * cutoff;
cutoff4 = cutoffsq * cutoffsq;
cdampcu = cdamp * cdamp * cdamp;
erfcd_cut = exp(-cdamp * cdamp * cutoffsq);
t_cut = 1.0 / (1.0 + EWALD_P * cdamp * cutoff);
erfcc_cut = t_cut * (A1 + t_cut * (A2 + t_cut * (A3 + t_cut * (A4 + t_cut * A5)))) * erfcd_cut;
// fill in the H matrix
m_fill = 0;