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Merge branch 'v2.8' into v2.9
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@GiovanniBussi
GiovanniBussi committed May 27, 2024
2 parents 9a827e9 + 4408492 commit eabfee2
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -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);

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2 changes: 1 addition & 1 deletion patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -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);

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1 comment on commit eabfee2

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Found broken examples in automatic/a-masterclass-22-09.txt
Found broken examples in automatic/a-masterclass-22-11.txt
Found broken examples in automatic/a-masterclass-22-12.txt
Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/ENVIRONMENTSIMILARITY.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/GHBFIX.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

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