From 72f82cc67530865b1e0dbc4e55f686d3ab6feaa6 Mon Sep 17 00:00:00 2001
From: lizutah <liz@sci.utah.edu>
Date: Tue, 22 Dec 2015 15:07:44 -0800
Subject: [PATCH 1/2] removed commented out cruft

---
 src/generic/geoflowparm.c | 14 --------------
 1 file changed, 14 deletions(-)

diff --git a/src/generic/geoflowparm.c b/src/generic/geoflowparm.c
index 80fc466..7ddb0a8 100644
--- a/src/generic/geoflowparm.c
+++ b/src/generic/geoflowparm.c
@@ -84,9 +84,6 @@ VPUBLIC Vrc_Codes GEOFLOWparm_ctor2(GEOFLOWparm *thee, GEOFLOWparm_CalcType type
     thee->type = type;
     thee->vdw = 0;
     thee->etol = 1.0e-6;
-//    thee->dcel = 0.25;
-//    thee->pres = 0.008;
-//    thee->gama = 0.0001;
 
     return VRC_SUCCESS;
 }
@@ -135,9 +132,6 @@ VPUBLIC void GEOFLOWparm_copy(GEOFLOWparm *thee, GEOFLOWparm *parm) {
 
     thee->vdw = parm->vdw;
     thee->etol = parm->etol;
-//    thee->dcel = parm->dcel;
-//    thee->pres = parm->pres;
-//    thee->gama = parm->gama;
 }
 
 Vrc_Codes FUBAR(const char* name){
@@ -228,14 +222,6 @@ VPUBLIC Vrc_Codes GEOFLOWparm_parseToken(GEOFLOWparm *thee, char tok[VMAX_BUFSIZ
 
     Vnm_print(0, "GEOFLOWparm_parseToken:  trying %s...\n", tok);
 
-
-//    if (Vstring_strcasecmp(tok, "press") == 0) {
-//        return parseNonNeg(&(thee->pres), 0.008, &(thee->setpres), "pres", sock);
-//    } else if (Vstring_strcasecmp(tok, "gamma") == 0) {
-//        return parseNonNeg(&(thee->gama), 0.0001, &(thee->setgama), "gama", sock);
-//    } else if (Vstring_strcasecmp(tok, "grid") == 0) {
-//        return parseNonNeg(&(thee->dcel), 0.25, &(thee->setdcel), "dcel", sock);
-//    } else
     if (Vstring_strcasecmp(tok, "vdwdisp") == 0) {
         return GEOFLOWparm_parseVDW(thee, sock);
     } else if(Vstring_strcasecmp(tok, "etol") == 0){

From b5c4bf249cd02e5897d905d3964a928db3c1a371 Mon Sep 17 00:00:00 2001
From: lizutah <liz@sci.utah.edu>
Date: Tue, 22 Dec 2015 15:08:30 -0800
Subject: [PATCH 2/2] fixed a few input params, including the grid size

---
 externals/geoflow_c |  2 +-
 src/routines.c      | 12 ++++++------
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/externals/geoflow_c b/externals/geoflow_c
index fae13d6..b0c14f5 160000
--- a/externals/geoflow_c
+++ b/externals/geoflow_c
@@ -1 +1 @@
-Subproject commit fae13d6dd56e13caea27fa64b9dadcfe06f75c0a
+Subproject commit b0c14f5e1a978fd80034a7966ff3361c480bacec
diff --git a/src/routines.c b/src/routines.c
index b734b07..6092ac5 100644
--- a/src/routines.c
+++ b/src/routines.c
@@ -5109,21 +5109,21 @@ VPUBLIC int solveGeometricFlow( Valist* molecules[NOSH_MAXMOL],
    struct GeometricFlowInput geoflowIn = getGeometricFlowParams();
 
    // change any of the parameters you want...
-   geoflowIn.m_boundaryCondition = MDH;  // should be: pbeparm->bcfl
-   geoflowIn.m_grid = apolparm->grid[0];
+   geoflowIn.m_boundaryCondition = (int) pbeparm->bcfl ;
+   geoflowIn.m_grid[0] = apolparm->grid[0];
+   geoflowIn.m_grid[1] = apolparm->grid[1];
+   geoflowIn.m_grid[2] = apolparm->grid[2];
    geoflowIn.m_gamma =  apolparm->gamma; 
    geoflowIn.m_pdie = pbeparm->pdie ;
    geoflowIn.m_sdie = pbeparm->sdie ;
    geoflowIn.m_press = apolparm->press ;
    geoflowIn.m_tol = parm->etol;
-   printf("etol TEST: %lf\n", parm->etol);
    geoflowIn.m_bconc = apolparm->bconc ;
    geoflowIn.m_vdwdispersion = parm->vdw;
-   printf("vdw TEST: %i\n", parm->vdw);
-   geoflowIn.m_etolSolvation = .01 ;  // to be added
+   geoflowIn.m_etolSolvation = .01 ;  // to be added?
 
    // debug
-   //printGeometricFlowStruct( geoflowIn );
+   printGeometricFlowStruct( geoflowIn );
   
    printf("num mols: %i\n", nosh->nmol);
    struct GeometricFlowOutput geoflowOut =