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Fix whitespace

This commit is contained in:
Richard Berger 2019-12-06 14:43:45 -05:00
parent 2d4d07521d
commit 00547d906b
4 changed files with 11 additions and 11 deletions
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2
src/USER-CGDNA/pair_oxdna2_dh.h
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@ -28,7 +28,7 @@ class PairOxdna2Dh : public Pair {
public:
PairOxdna2Dh(class LAMMPS *);
virtual ~PairOxdna2Dh();
virtual void compute_interaction_sites(double *, double *, double *,
virtual void compute_interaction_sites(double *, double *, double *,
double *);
virtual void compute(int, int);
void settings(int, char **);

2
src/USER-CGDNA/pair_oxrna2_dh.cpp
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@ -35,7 +35,7 @@ PairOxrna2Dh::~PairOxrna2Dh()
/* ----------------------------------------------------------------------
compute vector COM-sugar-phosphate backbone interaction site in oxRNA2
------------------------------------------------------------------------- */
void PairOxrna2Dh::compute_interaction_sites(double e1[3], double /*e2*/[3],
void PairOxrna2Dh::compute_interaction_sites(double e1[3], double /*e2*/[3],
double e3[3], double r[3])
{
double d_cs_x=-0.4, d_cs_z=+0.2;

2
src/USER-CGDNA/pair_oxrna2_hbond.cpp
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@ -27,7 +27,7 @@ PairOxrna2Hbond::PairOxrna2Hbond(LAMMPS *lmp) : PairOxdnaHbond(lmp)
// sequence-specific base-pairing strength
// A:0 C:1 G:2 U:3, 5'- [i][j] -3'
alpha_hb[0][0] = 1.00000;
alpha_hb[0][1] = 1.00000;
alpha_hb[0][2] = 1.00000;

16
src/USER-CGDNA/pair_oxrna2_stk.cpp
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@ -49,7 +49,7 @@ PairOxrna2Stk::PairOxrna2Stk(LAMMPS *lmp) : Pair(lmp)
// sequence-specific stacking strength
// A:0 C:1 G:2 U:3, 5'- [i][j] -3'
eta_st[0][0] = 0.93851;
eta_st[0][0] = 0.93851;
eta_st[0][1] = 1.12901;
eta_st[0][2] = 1.15626;
eta_st[0][3] = 0.88850;
@ -133,7 +133,7 @@ PairOxrna2Stk::~PairOxrna2Stk()
tally energy and virial into global and per-atom accumulators
NOTE: Although this is a pair style interaction, the algorithm below
follows the virial incrementation of the bond style. This is because
follows the virial incrementation of the bond style. This is because
the bond topology is used in the main compute loop.
------------------------------------------------------------------------- */
@ -391,13 +391,13 @@ void PairOxrna2Stk::compute(int eflag, int vflag)
if (cost6p < -1.0) cost6p = -1.0;
theta6p = acos(cost6p);
aux3p[0] = d3p_x * ax[0] + d3p_y * ay[0] + d3p_z * az[0];
aux3p[1] = d3p_x * ax[1] + d3p_y * ay[1] + d3p_z * az[1];
aux3p[2] = d3p_x * ax[2] + d3p_y * ay[2] + d3p_z * az[2];
aux3p[0] = d3p_x * ax[0] + d3p_y * ay[0] + d3p_z * az[0];
aux3p[1] = d3p_x * ax[1] + d3p_y * ay[1] + d3p_z * az[1];
aux3p[2] = d3p_x * ax[2] + d3p_y * ay[2] + d3p_z * az[2];
aux5p[0] = d5p_x * bx[0] + d5p_y * by[0] + d5p_z * bz[0];
aux5p[1] = d5p_x * bx[1] + d5p_y * by[1] + d5p_z * bz[1];
aux5p[2] = d5p_x * bx[2] + d5p_y * by[2] + d5p_z * bz[2];
aux5p[0] = d5p_x * bx[0] + d5p_y * by[0] + d5p_z * bz[0];
aux5p[1] = d5p_x * bx[1] + d5p_y * by[1] + d5p_z * bz[1];
aux5p[2] = d5p_x * bx[2] + d5p_y * by[2] + d5p_z * bz[2];
cost9 = MathExtra::dot3(delr_ss_norm,aux3p);
if (cost9 > 1.0) cost9 = 1.0;