From 0bfbfcbb9d8973c15d938ae35ff4837dcc07d843 Mon Sep 17 00:00:00 2001 From: Gareth Aneurin Tribello Date: Mon, 27 May 2024 12:15:36 +0100 Subject: [PATCH] Fixed terminating character issue in patch for Quantum Espresso --- patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90 | 2 +- patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 | 2 +- patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 | 2 +- patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90 b/patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90 index c0c40d69fc..51bdcd8e8e 100644 --- a/patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90 +++ b/patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90 @@ -49,7 +49,7 @@ SUBROUTINE plugin_initialization() call plumed_f_gcmd("setPlumedDat"//char(0),"plumed.dat"//char(0)) call plumed_f_gcmd("setLogFile"//char(0),"PLUMED.OUT"//char(0)) call plumed_f_gcmd("setNatoms"//char(0),nat) - call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"); + call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"//char(0)); call plumed_f_gcmd("setTimestep"//char(0),dt); call plumed_f_gcmd("init"//char(0),0); diff --git a/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 b/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 index c0c40d69fc..51bdcd8e8e 100644 --- a/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 +++ b/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 @@ -49,7 +49,7 @@ SUBROUTINE plugin_initialization() call plumed_f_gcmd("setPlumedDat"//char(0),"plumed.dat"//char(0)) call plumed_f_gcmd("setLogFile"//char(0),"PLUMED.OUT"//char(0)) call plumed_f_gcmd("setNatoms"//char(0),nat) - call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"); + call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"//char(0)); call plumed_f_gcmd("setTimestep"//char(0),dt); call plumed_f_gcmd("init"//char(0),0); diff --git a/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 b/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 index ed5ae7a26d..0b41434353 100644 --- a/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 +++ b/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 @@ -51,7 +51,7 @@ SUBROUTINE plugin_initialization() call plumed_f_gcmd("setPlumedDat"//char(0),"plumed.dat"//char(0)) call plumed_f_gcmd("setLogFile"//char(0),"PLUMED.OUT"//char(0)) call plumed_f_gcmd("setNatoms"//char(0),nat) - call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"); + call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"//char(0)); call plumed_f_gcmd("setTimestep"//char(0),dt); call plumed_f_gcmd("init"//char(0),0); diff --git a/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 b/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 index ed5ae7a26d..0b41434353 100644 --- a/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 +++ b/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 @@ -51,7 +51,7 @@ SUBROUTINE plugin_initialization() call plumed_f_gcmd("setPlumedDat"//char(0),"plumed.dat"//char(0)) call plumed_f_gcmd("setLogFile"//char(0),"PLUMED.OUT"//char(0)) call plumed_f_gcmd("setNatoms"//char(0),nat) - call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"); + call plumed_f_gcmd("setMDEngine"//char(0),"qespresso"//char(0)); call plumed_f_gcmd("setTimestep"//char(0),dt); call plumed_f_gcmd("init"//char(0),0);