Removed whitespace
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@ -46,23 +46,16 @@ class PairOxdna2Coaxstk : public Pair {
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double **k_cxst, **cut_cxst_0, **cut_cxst_c, **cut_cxst_lo, **cut_cxst_hi;
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double **cut_cxst_lc, **cut_cxst_hc, **b_cxst_lo, **b_cxst_hi;
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double **cutsq_cxst_hc;
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double **a_cxst1, **theta_cxst1_0, **dtheta_cxst1_ast;
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double **b_cxst1, **dtheta_cxst1_c;
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double **a_cxst4, **theta_cxst4_0, **dtheta_cxst4_ast;
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double **b_cxst4, **dtheta_cxst4_c;
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double **a_cxst5, **theta_cxst5_0, **dtheta_cxst5_ast;
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double **b_cxst5, **dtheta_cxst5_c;
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double **a_cxst6, **theta_cxst6_0, **dtheta_cxst6_ast;
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double **b_cxst6, **dtheta_cxst6_c;
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double **AA_cxst1, **BB_cxst1;
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// per-atom arrays for local unit vectors
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double **nx_xtrct, **nz_xtrct;
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double **nx_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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virtual void allocate();
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};
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@ -45,9 +45,7 @@ class PairOxdna2Dh : public Pair {
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protected:
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double **qeff_dh_pf, **kappa_dh;
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double **b_dh, **cut_dh_ast, **cutsq_dh_ast, **cut_dh_c, **cutsq_dh_c;
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// per-atom arrays for local unit vectors
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double **nx_xtrct, **ny_xtrct, **nz_xtrct;
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double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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virtual void allocate();
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};
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@ -47,22 +47,16 @@ class PairOxdnaCoaxstk : public Pair {
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double **k_cxst, **cut_cxst_0, **cut_cxst_c, **cut_cxst_lo, **cut_cxst_hi;
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double **cut_cxst_lc, **cut_cxst_hc, **b_cxst_lo, **b_cxst_hi;
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double **cutsq_cxst_hc;
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double **a_cxst1, **theta_cxst1_0, **dtheta_cxst1_ast;
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double **b_cxst1, **dtheta_cxst1_c;
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double **a_cxst4, **theta_cxst4_0, **dtheta_cxst4_ast;
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double **b_cxst4, **dtheta_cxst4_c;
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double **a_cxst5, **theta_cxst5_0, **dtheta_cxst5_ast;
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double **b_cxst5, **dtheta_cxst5_c;
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double **a_cxst6, **theta_cxst6_0, **dtheta_cxst6_ast;
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double **b_cxst6, **dtheta_cxst6_c;
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double **a_cxst3p, **cosphi_cxst3p_ast, **b_cxst3p, **cosphi_cxst3p_c;
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double **a_cxst4p, **cosphi_cxst4p_ast, **b_cxst4p, **cosphi_cxst4p_c;
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double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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virtual void allocate();
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@ -55,7 +55,6 @@ class PairOxdnaExcv : public Pair {
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double **lj1_sb, **lj2_sb, **b_sb, **cut_sb_c, **cutsq_sb_c;
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double **epsilon_bb, **sigma_bb, **cut_bb_ast, **cutsq_bb_ast;
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double **lj1_bb, **lj2_bb, **b_bb, **cut_bb_c, **cutsq_bb_c;
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double **nx, **ny, **nz; // per-atom arrays for local unit vectors
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virtual void allocate();
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@ -48,27 +48,19 @@ class PairOxdnaHbond : public Pair {
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double **epsilon_hb, **a_hb, **cut_hb_0, **cut_hb_c, **cut_hb_lo, **cut_hb_hi;
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double **cut_hb_lc, **cut_hb_hc, **b_hb_lo, **b_hb_hi, **shift_hb;
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double **cutsq_hb_hc;
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double **a_hb1, **theta_hb1_0, **dtheta_hb1_ast;
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double **b_hb1, **dtheta_hb1_c;
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double **a_hb2, **theta_hb2_0, **dtheta_hb2_ast;
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double **b_hb2, **dtheta_hb2_c;
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double **a_hb3, **theta_hb3_0, **dtheta_hb3_ast;
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double **b_hb3, **dtheta_hb3_c;
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double **a_hb4, **theta_hb4_0, **dtheta_hb4_ast;
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double **b_hb4, **dtheta_hb4_c;
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double **a_hb7, **theta_hb7_0, **dtheta_hb7_ast;
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double **b_hb7, **dtheta_hb7_c;
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double **a_hb8, **theta_hb8_0, **dtheta_hb8_ast;
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double **b_hb8, **dtheta_hb8_c;
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double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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int seqdepflag;
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virtual void allocate();
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@ -59,10 +59,7 @@ class PairOxdnaStk : public Pair {
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double **b_st6, **dtheta_st6_c;
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double **a_st1, **cosphi_st1_ast, **b_st1, **cosphi_st1_c;
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double **a_st2, **cosphi_st2_ast, **b_st2, **cosphi_st2_c;
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double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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int seqdepflag;
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virtual void allocate();
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@ -47,28 +47,20 @@ class PairOxdnaXstk : public Pair {
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double **k_xst, **cut_xst_0, **cut_xst_c, **cut_xst_lo, **cut_xst_hi;
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double **cut_xst_lc, **cut_xst_hc, **b_xst_lo, **b_xst_hi;
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double **cutsq_xst_hc;
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double **a_xst1, **theta_xst1_0, **dtheta_xst1_ast;
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double **b_xst1, **dtheta_xst1_c;
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double **a_xst2, **theta_xst2_0, **dtheta_xst2_ast;
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double **b_xst2, **dtheta_xst2_c;
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double **a_xst3, **theta_xst3_0, **dtheta_xst3_ast;
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double **b_xst3, **dtheta_xst3_c;
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double **a_xst4, **theta_xst4_0, **dtheta_xst4_ast;
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double **b_xst4, **dtheta_xst4_c;
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double **a_xst7, **theta_xst7_0, **dtheta_xst7_ast;
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double **b_xst7, **dtheta_xst7_c;
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double **a_xst8, **theta_xst8_0, **dtheta_xst8_ast;
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double **b_xst8, **dtheta_xst8_c;
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double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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virtual void allocate();
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};
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@ -60,10 +60,7 @@ class PairOxrna2Stk : public Pair {
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double **b_st10, **dtheta_st10_c;
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double **a_st1, **cosphi_st1_ast, **b_st1, **cosphi_st1_c;
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double **a_st2, **cosphi_st2_ast, **b_st2, **cosphi_st2_c;
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// per-atom arrays for local unit vectors
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double **nx_xtrct, **ny_xtrct, **nz_xtrct;
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double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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int seqdepflag;
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virtual void allocate();
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@ -46,24 +46,17 @@ class PairOxrna2Xstk : public Pair {
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double **k_xst, **cut_xst_0, **cut_xst_c, **cut_xst_lo, **cut_xst_hi;
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double **cut_xst_lc, **cut_xst_hc, **b_xst_lo, **b_xst_hi;
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double **cutsq_xst_hc;
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double **a_xst1, **theta_xst1_0, **dtheta_xst1_ast;
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double **b_xst1, **dtheta_xst1_c;
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double **a_xst2, **theta_xst2_0, **dtheta_xst2_ast;
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double **b_xst2, **dtheta_xst2_c;
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double **a_xst3, **theta_xst3_0, **dtheta_xst3_ast;
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double **b_xst3, **dtheta_xst3_c;
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double **a_xst7, **theta_xst7_0, **dtheta_xst7_ast;
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double **b_xst7, **dtheta_xst7_c;
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double **a_xst8, **theta_xst8_0, **dtheta_xst8_ast;
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double **b_xst8, **dtheta_xst8_c;
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// per-atom arrays for local unit vectors
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double **nx_xtrct, **nz_xtrct;
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double **nx_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors
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virtual void allocate();
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};
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