diff --git a/src/CG-DNA/pair_oxdna2_coaxstk.h b/src/CG-DNA/pair_oxdna2_coaxstk.h index 7b376fa368..eecd369c38 100644 --- a/src/CG-DNA/pair_oxdna2_coaxstk.h +++ b/src/CG-DNA/pair_oxdna2_coaxstk.h @@ -46,23 +46,16 @@ class PairOxdna2Coaxstk : public Pair { double **k_cxst, **cut_cxst_0, **cut_cxst_c, **cut_cxst_lo, **cut_cxst_hi; double **cut_cxst_lc, **cut_cxst_hc, **b_cxst_lo, **b_cxst_hi; double **cutsq_cxst_hc; - double **a_cxst1, **theta_cxst1_0, **dtheta_cxst1_ast; double **b_cxst1, **dtheta_cxst1_c; - double **a_cxst4, **theta_cxst4_0, **dtheta_cxst4_ast; double **b_cxst4, **dtheta_cxst4_c; - double **a_cxst5, **theta_cxst5_0, **dtheta_cxst5_ast; double **b_cxst5, **dtheta_cxst5_c; - double **a_cxst6, **theta_cxst6_0, **dtheta_cxst6_ast; double **b_cxst6, **dtheta_cxst6_c; - double **AA_cxst1, **BB_cxst1; - - // per-atom arrays for local unit vectors - double **nx_xtrct, **nz_xtrct; + double **nx_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors virtual void allocate(); }; diff --git a/src/CG-DNA/pair_oxdna2_dh.h b/src/CG-DNA/pair_oxdna2_dh.h index d7075f2988..dd299a197c 100644 --- a/src/CG-DNA/pair_oxdna2_dh.h +++ b/src/CG-DNA/pair_oxdna2_dh.h @@ -45,9 +45,7 @@ class PairOxdna2Dh : public Pair { protected: double **qeff_dh_pf, **kappa_dh; double **b_dh, **cut_dh_ast, **cutsq_dh_ast, **cut_dh_c, **cutsq_dh_c; - - // per-atom arrays for local unit vectors - double **nx_xtrct, **ny_xtrct, **nz_xtrct; + double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors virtual void allocate(); }; diff --git a/src/CG-DNA/pair_oxdna_coaxstk.h b/src/CG-DNA/pair_oxdna_coaxstk.h index 28813a034f..1868e9897e 100644 --- a/src/CG-DNA/pair_oxdna_coaxstk.h +++ b/src/CG-DNA/pair_oxdna_coaxstk.h @@ -47,22 +47,16 @@ class PairOxdnaCoaxstk : public Pair { double **k_cxst, **cut_cxst_0, **cut_cxst_c, **cut_cxst_lo, **cut_cxst_hi; double **cut_cxst_lc, **cut_cxst_hc, **b_cxst_lo, **b_cxst_hi; double **cutsq_cxst_hc; - double **a_cxst1, **theta_cxst1_0, **dtheta_cxst1_ast; double **b_cxst1, **dtheta_cxst1_c; - double **a_cxst4, **theta_cxst4_0, **dtheta_cxst4_ast; double **b_cxst4, **dtheta_cxst4_c; - double **a_cxst5, **theta_cxst5_0, **dtheta_cxst5_ast; double **b_cxst5, **dtheta_cxst5_c; - double **a_cxst6, **theta_cxst6_0, **dtheta_cxst6_ast; double **b_cxst6, **dtheta_cxst6_c; - double **a_cxst3p, **cosphi_cxst3p_ast, **b_cxst3p, **cosphi_cxst3p_c; double **a_cxst4p, **cosphi_cxst4p_ast, **b_cxst4p, **cosphi_cxst4p_c; - double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors virtual void allocate(); diff --git a/src/CG-DNA/pair_oxdna_excv.h b/src/CG-DNA/pair_oxdna_excv.h index 9abd97fb3d..c5bdc1a85a 100644 --- a/src/CG-DNA/pair_oxdna_excv.h +++ b/src/CG-DNA/pair_oxdna_excv.h @@ -55,7 +55,6 @@ class PairOxdnaExcv : public Pair { double **lj1_sb, **lj2_sb, **b_sb, **cut_sb_c, **cutsq_sb_c; double **epsilon_bb, **sigma_bb, **cut_bb_ast, **cutsq_bb_ast; double **lj1_bb, **lj2_bb, **b_bb, **cut_bb_c, **cutsq_bb_c; - double **nx, **ny, **nz; // per-atom arrays for local unit vectors virtual void allocate(); diff --git a/src/CG-DNA/pair_oxdna_hbond.h b/src/CG-DNA/pair_oxdna_hbond.h index 4afd9b8ad6..14bbfc5573 100644 --- a/src/CG-DNA/pair_oxdna_hbond.h +++ b/src/CG-DNA/pair_oxdna_hbond.h @@ -48,27 +48,19 @@ class PairOxdnaHbond : public Pair { double **epsilon_hb, **a_hb, **cut_hb_0, **cut_hb_c, **cut_hb_lo, **cut_hb_hi; double **cut_hb_lc, **cut_hb_hc, **b_hb_lo, **b_hb_hi, **shift_hb; double **cutsq_hb_hc; - double **a_hb1, **theta_hb1_0, **dtheta_hb1_ast; double **b_hb1, **dtheta_hb1_c; - double **a_hb2, **theta_hb2_0, **dtheta_hb2_ast; double **b_hb2, **dtheta_hb2_c; - double **a_hb3, **theta_hb3_0, **dtheta_hb3_ast; double **b_hb3, **dtheta_hb3_c; - double **a_hb4, **theta_hb4_0, **dtheta_hb4_ast; double **b_hb4, **dtheta_hb4_c; - double **a_hb7, **theta_hb7_0, **dtheta_hb7_ast; double **b_hb7, **dtheta_hb7_c; - double **a_hb8, **theta_hb8_0, **dtheta_hb8_ast; double **b_hb8, **dtheta_hb8_c; - double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors - int seqdepflag; virtual void allocate(); diff --git a/src/CG-DNA/pair_oxdna_stk.h b/src/CG-DNA/pair_oxdna_stk.h index 5dbe9ea1e9..da2ad81673 100644 --- a/src/CG-DNA/pair_oxdna_stk.h +++ b/src/CG-DNA/pair_oxdna_stk.h @@ -59,10 +59,7 @@ class PairOxdnaStk : public Pair { double **b_st6, **dtheta_st6_c; double **a_st1, **cosphi_st1_ast, **b_st1, **cosphi_st1_c; double **a_st2, **cosphi_st2_ast, **b_st2, **cosphi_st2_c; - double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors - - int seqdepflag; virtual void allocate(); diff --git a/src/CG-DNA/pair_oxdna_xstk.h b/src/CG-DNA/pair_oxdna_xstk.h index 7695effc89..04f9462fd4 100644 --- a/src/CG-DNA/pair_oxdna_xstk.h +++ b/src/CG-DNA/pair_oxdna_xstk.h @@ -47,28 +47,20 @@ class PairOxdnaXstk : public Pair { double **k_xst, **cut_xst_0, **cut_xst_c, **cut_xst_lo, **cut_xst_hi; double **cut_xst_lc, **cut_xst_hc, **b_xst_lo, **b_xst_hi; double **cutsq_xst_hc; - double **a_xst1, **theta_xst1_0, **dtheta_xst1_ast; double **b_xst1, **dtheta_xst1_c; - double **a_xst2, **theta_xst2_0, **dtheta_xst2_ast; double **b_xst2, **dtheta_xst2_c; - double **a_xst3, **theta_xst3_0, **dtheta_xst3_ast; double **b_xst3, **dtheta_xst3_c; - double **a_xst4, **theta_xst4_0, **dtheta_xst4_ast; double **b_xst4, **dtheta_xst4_c; - double **a_xst7, **theta_xst7_0, **dtheta_xst7_ast; double **b_xst7, **dtheta_xst7_c; - double **a_xst8, **theta_xst8_0, **dtheta_xst8_ast; double **b_xst8, **dtheta_xst8_c; - double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors - virtual void allocate(); }; diff --git a/src/CG-DNA/pair_oxrna2_stk.h b/src/CG-DNA/pair_oxrna2_stk.h index e15614f126..0e7647894d 100644 --- a/src/CG-DNA/pair_oxrna2_stk.h +++ b/src/CG-DNA/pair_oxrna2_stk.h @@ -60,10 +60,7 @@ class PairOxrna2Stk : public Pair { double **b_st10, **dtheta_st10_c; double **a_st1, **cosphi_st1_ast, **b_st1, **cosphi_st1_c; double **a_st2, **cosphi_st2_ast, **b_st2, **cosphi_st2_c; - - // per-atom arrays for local unit vectors - double **nx_xtrct, **ny_xtrct, **nz_xtrct; - + double **nx_xtrct, **ny_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors int seqdepflag; virtual void allocate(); diff --git a/src/CG-DNA/pair_oxrna2_xstk.h b/src/CG-DNA/pair_oxrna2_xstk.h index 6ece8e3f32..8516b1c5d4 100644 --- a/src/CG-DNA/pair_oxrna2_xstk.h +++ b/src/CG-DNA/pair_oxrna2_xstk.h @@ -46,24 +46,17 @@ class PairOxrna2Xstk : public Pair { double **k_xst, **cut_xst_0, **cut_xst_c, **cut_xst_lo, **cut_xst_hi; double **cut_xst_lc, **cut_xst_hc, **b_xst_lo, **b_xst_hi; double **cutsq_xst_hc; - double **a_xst1, **theta_xst1_0, **dtheta_xst1_ast; double **b_xst1, **dtheta_xst1_c; - double **a_xst2, **theta_xst2_0, **dtheta_xst2_ast; double **b_xst2, **dtheta_xst2_c; - double **a_xst3, **theta_xst3_0, **dtheta_xst3_ast; double **b_xst3, **dtheta_xst3_c; - double **a_xst7, **theta_xst7_0, **dtheta_xst7_ast; double **b_xst7, **dtheta_xst7_c; - double **a_xst8, **theta_xst8_0, **dtheta_xst8_ast; double **b_xst8, **dtheta_xst8_c; - - // per-atom arrays for local unit vectors - double **nx_xtrct, **nz_xtrct; + double **nx_xtrct, **nz_xtrct; // per-atom arrays for local unit vectors virtual void allocate(); };