Fixing error in read plainvec test

efposadac · Nov 22, 2023 · 83217e3 · 83217e3
1 parent 7e365b8
commit 83217e3
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/bin/lowdin b/bin/lowdin
@@ -347,7 +347,7 @@ if [ $extFile="lowdin" ]; then
 	if [ -d "$LOWDIN_SCRATCH/$nameFile" ]
 	then
 	    echo "## WARNING ## The scratch directory $LOWDIN_SCRATCH/$nameFile"
-	    echo "              has been removed, probably it corresponds to"
+	    echo "              exists, probably it corresponds to"
 	    echo "              a calculation completed or with errors."
 	    # rm -rf $LOWDIN_SCRATCH/$nameFile
 	    mkdir $LOWDIN_SCRATCH/$nameFile
@@ -356,6 +356,7 @@ if [ $extFile="lowdin" ]; then
 	fi
 
 	cp $nameFile*.vec $LOWDIN_SCRATCH/$nameFile &> /dev/null
+	cp $nameFile*.plainvec $LOWDIN_SCRATCH/$nameFile &> /dev/null
 	cp $nameFile*.val $LOWDIN_SCRATCH/$nameFile &> /dev/null
 	cp $nameFile*.dens $LOWDIN_SCRATCH/$nameFile &> /dev/null
 	cp $nameFile*.sup $LOWDIN_SCRATCH/$nameFile &> /dev/null

diff --git a/src/scf/DensityMatrixSCFGuess.f90 b/src/scf/DensityMatrixSCFGuess.f90
@@ -80,7 +80,7 @@ subroutine DensityMatrixSCFGuess_getGuess( speciesID, hcoreMatrix, transformatio
        wfnFile=trim(CONTROL_instance%INPUT_FILE)//"plainvec"
        inquire(FILE = wfnFile, EXIST = existPlain )
        if ( existPlain ) then
-          open(unit=wfnUnit, file=trim(wfnFile), status="old", form="unformatted")
+          open(unit=wfnUnit, file=trim(wfnFile), status="old", form="formatted")
           orbitals = Matrix_getFromFile(unit=wfnUnit, rows= int(orderOfMatrix,4), &
                columns= int(orderOfMatrix,4), binary=.false., arguments=arguments(1:2),failContinue=.true.)
           close(wfnUnit)