- 14 Jun, 2016 4 commits
-
-
jiff1302 authored
-
jiff1302 authored
-
jiff1302 authored
preprocessor statements to remove that code
-
Gregor Michalicek authored
-
- 13 Jun, 2016 1 commit
-
-
Gregor Michalicek authored
Note: The timings are still buggy: 1. They are not yet reset in each iteration 2. The timers should have other names.
-
- 10 Jun, 2016 14 commits
-
-
Gregor Michalicek authored
-
Gregor Michalicek authored
Note: The output for valenceDensity, valenceCharges, and allElectronCharges is preliminary. It does not look nice in out.xml. The date should be collected in the routines to enable a nicer output at a different place.
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Gregor Michalicek authored
1. The total forces are now written out to out.xml iff l_f=T. 2. There were bugs in some array dimensionings in force_a21. Corrected. 3. Some cleanup in cdnval, force_a21, and force_a21_lo.
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
systemwide, you have to compile it yourself and define a variable XML2LIB to point to the static libxml2.a file.
-
Gregor Michalicek authored
...as suggested by Daniel. The tlmplm arrays in that routine only have a spin dimension of 1. Depending on the variable isp these arrays either contain the values for spin 1 or 2.
-
Gregor Michalicek authored
-
Gregor Michalicek authored
-
Gregor Michalicek authored
Also in this commit: Enabled output of program version to out.xml.
-
Daniel Wortmann authored
-
Gregor Michalicek authored
-
- 09 Jun, 2016 11 commits
-
-
Gregor Michalicek authored
Also in this commit: small bug fixes for core states output and introduction of valenceDensity hierarchy layer in out.xml.
-
Gregor Michalicek authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Gregor Michalicek authored
-
Daniel Wortmann authored
-
- 08 Jun, 2016 9 commits
-
-
Daniel Wortmann authored
-
Daniel Wortmann authored
make doc will now generate html&latex documentation
-
Gregor Michalicek authored
-
Gregor Michalicek authored
-
Daniel Wortmann authored
Changed .eq. to .eqv. for comparison of logicals Changed assignment of logical to integer variable
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
-
Daniel Wortmann authored
Made vdW stuff in vgen dependend on CMAKE variable Fleur_uses_vdW to avoid compilation if no fftw is present Added CPP_MPI dependency in eig66_mpi and initParallelProcesses to enable compilation of serial versions Made initParallelProcesses a F90 file
-
- 07 Jun, 2016 1 commit
-
-
Gregor Michalicek authored
Note: This is incomplete. Missing: 1. vacuum energy parameters 2. alternative types of energy parameters
-