<![CDATA[Multiwfn forum / Error compiling with GFortran]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=740 Wed, 16 Nov 2022 07:11:23 +0000 FluxBB <![CDATA[Re: Error compiling with GFortran]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2829#p2829 This bug has already been identified (see patch at #6 in //www.umsyar.com/wfnbbs/viewtopic.php?id=733), it will be fixed in the next update. Please manually rectify it currently (replace "ifPBC" with "PBCdir")

]]> Wed, 16 Nov 2022 07:11:23 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2829#p2829 <![CDATA[Error compiling with GFortran]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2828#p2828 I have some trouble compiling the newest version of multiwfn with GFortran. I think "ifPBC" should be "PBCdir"

/Users/kjelljorner/Documents/GitHub/multiwfn-mac-build/cp2kmate.f90:353:16:

  353 |             if (ifPBC=="XYZ") then
      |                1
Error: Operands of comparison operator '==' at (1) are INTEGER(4)/CHARACTER(3)

]]> Tue, 15 Nov 2022 22:40:46 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2828#p2828