From 501a4e17b00b0e923a586c0a5b4022ab9d8119cb Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Tue, 2 May 2023 08:51:07 -0400
Subject: [PATCH] Start critical tracing from nonpolar
A test that nonpolar works with multipolar
---
src/tests/catch_test_SAFTpolar.cxx | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/tests/catch_test_SAFTpolar.cxx b/src/tests/catch_test_SAFTpolar.cxx
index 1a02bd8..05feb46 100644
--- a/src/tests/catch_test_SAFTpolar.cxx
+++ b/src/tests/catch_test_SAFTpolar.cxx
@@ -148,7 +148,7 @@ TEST_CASE("Check critical points with polarity terms", "[SAFTVRMiepolar]"){
// CHECK(rhostar_guess == Approx(0.221054));
// }
- SECTION("With Gross&Vrabec"){
+ SECTION("With multipolar terms"){
for (std::string polar_model : {"GrossVrabec", "GubbinsTwu+Luckas", "GubbinsTwu+GubbinsTwu"}){
const bool print = true;
double Tstar_guess = Tstar_guess_init, rhostar_guess = rhostar_guess_init;
@@ -161,7 +161,7 @@ TEST_CASE("Check critical points with polarity terms", "[SAFTVRMiepolar]"){
double mustar2factor = 1.0/(4*static_cast<double>(EIGEN_PI)*8.8541878128e-12*1.380649e-23);
j["model"]["polar_model"] = polar_model;
- for (double mustar2 = 0.1; mustar2 < 5; mustar2 += 0.1){
+ for (double mustar2 = 0.0; mustar2 < 5; mustar2 += 0.1){
j["model"]["coeffs"][0]["mu_Cm"] = sqrt(mustar2/mustar2factor*(ek*pow(sigma_m, 3)));
j["model"]["coeffs"][0]["nmu"] = 1;
auto model = teqp::cppinterface::make_model(j);
--
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