From aede7e0121a037fd7226a8bfd558eb21a932fa5a Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Wed, 14 Aug 2019 21:30:25 +0000 Subject: [PATCH] Added additional functions to ease Ulm2 poststating --- src/initial_distribution.c | 6 ++++-- 1 files changed, 4 insertions(+), 2 deletions(-) diff --git a/src/initial_distribution.c b/src/initial_distribution.c index 93c7338..87cfb68 100644 --- a/src/initial_distribution.c +++ b/src/initial_distribution.c @@ -43,6 +43,8 @@ vesicle=initial_distribution_dipyramid(tape->nshell,tape->ncxmax,tape->ncymax,tape->nczmax,tape->stepsize); vesicle->tape=tape; + vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies; + vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle); set_vesicle_values_from_tape(vesicle); initial_population_with_c0(vesicle,tape); return vesicle; @@ -59,7 +61,7 @@ vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies; //Initialize grafted polymers (brush): - vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle); + //vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle); vesicle->spring_constant=tape->kspring; poly_assign_spring_const(vesicle); @@ -112,7 +114,7 @@ vesicle->sphHarmonics=NULL; } - vesicle->tlist->a0=sqrt(3)/2*pow((vesicle->tape->dmax+1.0)/2.0,2); + vesicle->tlist->a0=sqrt(3)/4*pow((vesicle->tape->dmax+1.0)/2.0,2); return TS_SUCCESS; } -- Gitblit v1.9.3