fabrizio22
|
a03d63f8e6
|
XClib - output unit fix
|
2021-02-15 20:23:10 +01:00 |
fabrizio22
|
9b5d6aff7e
|
XClib test compilation fixes
|
2021-01-20 13:36:43 +01:00 |
fabrizio22
|
79a4dd80bf
|
XClib - libxc initialization
|
2021-01-14 16:01:58 +01:00 |
Paolo Giannozzi
|
0fd2814f94
|
Small change: remove unneeded dependencies upon QE modules
|
2021-01-06 16:06:22 +01:00 |
fabrizio22
|
6d3da3964e
|
XClib - small compilation fixes
|
2021-01-06 16:06:22 +01:00 |
fabrizio22
|
ccccf39ecb
|
XClib - xclib_test active
|
2021-01-06 16:06:22 +01:00 |
fabrizio22
|
689c034014
|
XClib - compilation fixes
|
2021-01-06 16:06:22 +01:00 |
Paolo Giannozzi
|
c7fbd7ecbc
|
BEEF merged into QE, courtesy Johannes Voss
|
2021-01-06 16:06:22 +01:00 |
fabrizio22
|
55f6d62f4c
|
XClib - a few fixes (including b3lyp)
|
2021-01-06 15:42:52 +01:00 |
fabrizio22
|
2199fa4b1e
|
XClib - comb. of qe and libxc dft in dgcxc
|
2021-01-06 15:42:52 +01:00 |
fabrizio22
|
cf81c2d9c7
|
XClib - test moved from PP to XClib
|
2021-01-06 15:42:52 +01:00 |
fabrizio22
|
509ce8ad64
|
XClib - all in module xc_lib
|
2021-01-06 15:42:52 +01:00 |
fabrizio22
|
8da3d663e1
|
XClib - funct into XClib (except vdw)
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
bb3e2eb31b
|
XClib - all external calls removed
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
f81ccfe2a5
|
XClib - some reorganization
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
901de19d0f
|
XClib - dgcxc wrapper
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
2a27424530
|
XClib - dmxc wrapper
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
90663b7bf9
|
XClib - mgga wrapper
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
0336b35bc3
|
XClib - gga wrapper
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
656d4c56ef
|
XClib - lda wrappers scratch
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
c1337867b2
|
XClib - lib name changed
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
06468bfdb1
|
XClib - beef aligned
|
2021-01-06 15:36:00 +01:00 |
fabrizio22
|
3d88b6cc02
|
XClib - mgga - scratch
|
2021-01-06 15:35:59 +01:00 |
fabrizio22
|
e2e0db9c2d
|
XClib - d_gga - unpol
|
2021-01-06 15:35:59 +01:00 |
fabrizio22
|
7621a4805d
|
XClib - d_lda - unpol - fix2 and alignment
|
2021-01-06 15:35:59 +01:00 |
fabrizio22
|
694b37a53e
|
XClib - gga unpol - scratch
|
2021-01-06 15:31:24 +01:00 |
fabrizio22
|
2566c6fcf9
|
XClib-lsda-scratch
|
2021-01-06 15:31:24 +01:00 |
fabrizio22
|
20e786e37e
|
XClib - LDA - functionals in modules for gpu split
|
2021-01-06 15:31:24 +01:00 |
fabrizio22
|
2f933d101e
|
XClib - lda - scratch
|
2021-01-06 15:31:24 +01:00 |