From 4a84c42112dab832fedd0f354747f7f7aaa5d8dc Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 29 Jan 2022 13:49:41 +0100 Subject: [PATCH] improving constants IUPAC does not specify an official ambient temperature, T=273.15K from standard temperature and pressure (STP) is not particularly suited for our purposes --- src/constants.f90 | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/constants.f90 b/src/constants.f90 index 3b99763de..43098188b 100644 --- a/src/constants.f90 +++ b/src/constants.f90 @@ -9,8 +9,8 @@ module constants public real(pReal), parameter :: & - T_ROOM = 300.0_pReal, & !< Room temperature in K. ToDo: IUPAC: 298.15 - K_B = 1.38e-23_pReal, & !< Boltzmann constant in J/Kelvin - N_A = 6.02214076e23_pReal !< Avogadro constant in 1/mol + T_ROOM = 298.15_pReal, & !< Room temperature in K (25°C)/Standard Ambient Temperaure and Pressure (SATP) + K_B = 1.380649e-23_pReal, & !< Boltzmann constant in J/Kelvin (https://doi.org/10.1351/goldbook) + N_A = 6.02214076e23_pReal !< Avogadro constant in 1/mol (https://doi.org/10.1351/goldbook) end module constants