Hotfix inaccurate Pi value #73
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There is a funny/strange bug.
In the code, the value of Pi is assigned by
REAL, parameter :: pi = 3.141592653589793238462643383279502884197, whileREALwill be replaced byreal(dp)in the macros (dpis double-precision specification). For some reason, the actual Pi value used during the runtime is3.1415927410125732. The numbers after the 7-th digit are incorrect and cause some finite error.Previously,
REALwas interpreted asrealand the default option of using 8 bytes for floating numbers was turned on. The Pi value was read correctly.The fix in this PR is to use
REAL, parameter :: pi = acos(-1.0_dp)and Pi value is now correct.A fix to the HDF5 module for the IPP cluster is also included (#70 ).
FAMUS (the
dipolebranch) will also be updated. If you are using other branches, please remember thedevelopbranch.