| Fix FFTW3 from MKL usage |
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about 1 year ago
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| TDDFPT GAPW forces: fix erroneous change (#3114) |
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about 1 year ago
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| GAPW TDDFPT Forces: bug fix in fxc term (#3112) |
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about 1 year ago
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| Relocate check to make it independent of the chosen print level |
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about 1 year ago
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| TDDFPT forces for mixed GAPW/GPW (#3110) |
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about 1 year ago
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| precommit: Wrap Markdown lines after 100 characters |
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about 1 year ago
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| precommit: Add mdformat-myst and upgrade package |
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about 1 year ago
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| Manual: Migrate howto:lrigpw from wiki (Orig. Author: Dorothea Golze) |
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about 1 year ago
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| Fix another auto-format error |
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about 1 year ago
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| Fixed several formatting errors |
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about 1 year ago
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| Fix Wannier localization when using LOW SPIN ROKS. |
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about 1 year ago
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| precommit: Fix Dockerfile |
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about 1 year ago
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| PW: Bind functions to objects, remove reference counting from pw_poisson_type (#3106) |
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about 1 year ago
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| PW: Remove module pw/fast in favor of more generic copy routines (#3105) |
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about 1 year ago
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| create TDDFPT%LINRES section (#3101) |
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about 1 year ago
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| Another update of BASIS_MOLOPT_LnPP2 (#3102) |
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about 1 year ago
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| Build plumed with all modules by default |
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about 1 year ago
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| Correct LnPP2 Basis sets. Some typos corrected Jun-Bo Lu (#3100) |
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about 1 year ago
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| KP-RI-HFX| minor communication optimization for large systems |
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about 1 year ago
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| Update dashboard |
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about 1 year ago
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| Remove space after flag |
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about 1 year ago
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| Use legacy sed symtax and add library |
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about 1 year ago
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| Switch test from MPICH to OpenMPI |
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about 1 year ago
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| GAPW TDDFPT Forces: bug fix in fxc term (#3094) |
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about 1 year ago
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| Remove SINGLE_PRECISION_MATRICES keyword |
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about 1 year ago
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| MPI: Specify imported routines and constants with MPI_F08 |
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about 1 year ago
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| MPI: Add wrapper to MPI_Comm_Get_Attr |
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about 1 year ago
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| Add short intro to Spack to documentation |
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about 1 year ago
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| fix SIRIUS scripts for different sed on Darwin |
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about 1 year ago
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| Fix parsing of atom sites from CIF files |
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about 1 year ago
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