From 632960fbf1ebde72860966058354f7a6b61f5267 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Thu, 10 Apr 2014 09:35:04 +0000
Subject: [PATCH] Added possibility to skip calculations of spherical harmonics. Fixed documentation in triangle.c.
---
src/timestep.c | 22 ++++++++++++----------
1 files changed, 12 insertions(+), 10 deletions(-)
diff --git a/src/timestep.c b/src/timestep.c
index c61099b..b7857dd 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -22,7 +22,7 @@
if(fd==NULL){
fatal("Cannot open statistics.csv file for writing",1);
}
- fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lmabda3\n");
+ fprintf(fd, "Epoch OuterLoop VertexMoveSucessRate BondFlipSuccessRate Volume Area lamdba1 lambda2 lambda3\n");
centermass(vesicle);
cell_occupation(vesicle);
if(start_iteration<inititer) ts_fprintf(stdout, "Starting simulation (first %d x %d MC sweeps will not be recorded on disk)\n", inititer, mcsweeps);
@@ -45,17 +45,19 @@
write_master_xml_file("test.pvd");
epochtime=get_epoch();
gyration_eigen(vesicle, &l1, &l2, &l3);
- get_area_volume(vesicle, &area,&volume);
- vesicle_volume(vesicle);
+ vesicle_volume(vesicle); //calculates just volume. Area is not added to ts_vesicle yet!
+ get_area_volume(vesicle, &area,&volume); //that's why I must recalculate area (and volume for no particular reason).
r0=getR0(vesicle);
- preparationSh(vesicle,r0);
- calculateYlmi(vesicle);
- calculateUlm(vesicle);
- storeUlm2(vesicle);
- saveAvgUlm2(vesicle);
+ if(vesicle->sphHarmonics!=NULL){
+ preparationSh(vesicle,r0);
+ calculateYlmi(vesicle);
+ calculateUlm(vesicle);
+ storeUlm2(vesicle);
+ saveAvgUlm2(vesicle);
+ }
- fprintf(fd, "%lu %u %e %e %e %e %e %e %e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3);
-
+ fprintf(fd, "%lu %u %e %e %1.16e %1.16e %1.16e %1.16e %1.16e\n",epochtime,i,vmsr,bfsr,volume, area,l1,l2,l3);
+ fflush(fd);
// sprintf(filename,"timestep-%05d.pov",i-inititer);
// write_pov_file(vesicle,filename);
}
--
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