Patch |
File delta |
Description |
01_hardcode_basis sets_location.patch | (download) |
src/basis/GNUmakefile |
2 1 + 1 - 0 !
src/nwpw/libraryps/GNUmakefile |
2 1 + 1 - 0 !
2 files changed, 2 insertions(+), 2 deletions(-) |
---
|
02_makefile_flags.patch | (download) |
src/config/makefile.h |
18 12 + 6 - 0 !
src/peigs/DEFS |
10 5 + 5 - 0 !
src/util/GNUmakefile |
1 1 + 0 - 0 !
3 files changed, 18 insertions(+), 11 deletions(-) |
---
|
03_hurd i386_define_path_max.patch | (download) |
src/tools/pario/eaf/eaf.c |
3 3 + 0 - 0 !
1 file changed, 3 insertions(+) |
---
|
04_show_testsuite_diff_output.patch | (download) |
QA/runtests.unix |
2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-) |
---
|
05_avoid_inline_assembler.patch | (download) |
src/tools/ga-5-1/armci/src/xfer/rmw.c |
2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-) |
---
|
06_statfs_kfreebsd.patch | (download) |
src/tools/ga-5-1/pario/elio/eliop.h |
4 2 + 2 - 0 !
1 file changed, 2 insertions(+), 2 deletions(-) |
---
|
07_ga_target_force_linux.patch | (download) |
src/tools/ga-5-1/armci/configure |
4 2 + 2 - 0 !
src/tools/ga-5-1/configure |
4 2 + 2 - 0 !
src/tools/ga-5-1/m4/ga_target.m4 |
2 1 + 1 - 0 !
3 files changed, 5 insertions(+), 5 deletions(-) |
---
|
08_lapack_constants_headers.patch | (download) |
src/peigs/h/blas_lapack.h |
2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-) |
---
|
09_backported_6.1.1_fixes.patch | (download) |
src/basis/basis.F |
4 4 + 0 - 0 !
src/drdy/wfiles.F |
65 23 + 42 - 0 !
src/driver/opt_drv.F |
11 10 + 1 - 0 !
src/geom/geom.F |
2 2 + 0 - 0 !
src/geom/geom_input.F |
73 32 + 41 - 0 !
src/gradients/grad_force.F |
13 7 + 6 - 0 !
src/input/memory_def.F |
177 133 + 44 - 0 !
src/mcscf/mcscf.F |
2 1 + 1 - 0 !
src/mcscf/mcscf_fcore.F |
2 1 + 1 - 0 !
src/moints/moints_semi.F |
6 4 + 2 - 0 !
src/mp2_grad/mp2_back_transform.F |
3 2 + 1 - 0 !
src/mp2_grad/mp2_grad_doit.F |
3 2 + 1 - 0 !
src/nwdft/coulomb/dft_fitcd.F |
3 2 + 1 - 0 !
src/nwdft/coulomb/dft_fitvc.F |
25 11 + 14 - 0 !
src/nwdft/grid/grid_atom_type_info.F |
14 13 + 1 - 0 !
src/nwdft/grid/grid_cleanup.F |
10 2 + 8 - 0 !
src/nwdft/grid/grid_eaf.F |
11 9 + 2 - 0 !
src/nwdft/grid/grid_file.F |
47 28 + 19 - 0 !
src/nwdft/so_dft/dft_scaleMO_so.F |
4 3 + 1 - 0 !
src/nwdft/so_dft/dft_scf_so.F |
20 10 + 10 - 0 !
src/nwdft/util/get_col.F |
24 17 + 7 - 0 !
src/nwdft/xc/xc_exso.F |
51 33 + 18 - 0 !
src/nwdft/xc/xc_hcth.F |
6 4 + 2 - 0 !
src/nwdft/xc/xc_kt1.F |
4 2 + 2 - 0 !
src/nwdft/xc/xc_replicated.F |
64 36 + 28 - 0 !
src/nwdft/xc/xc_vdw.F |
15 11 + 4 - 0 !
src/nwdft/xc/xc_xm05.F |
1 0 + 1 - 0 !
src/nwpw/band/cpsd/band_cpmd.F |
2 1 + 1 - 0 !
src/nwpw/band/lib/electron/c_electron.F |
2 1 + 1 - 0 !
src/nwpw/nwpwlib/ion/shake/molecular.F |
2 1 + 1 - 0 !
src/nwpw/nwpwlib/ion/xyz.F |
2 1 + 1 - 0 !
src/nwpw/nwpwlib/pseudopotential/psp_generator_input.F |
12 6 + 6 - 0 !
src/nwpw/nwpwlib/utilities/CIF_write.F |
2 1 + 1 - 0 !
src/nwpw/paw/cpsd/paw_cpmd.F |
2 1 + 1 - 0 !
src/nwpw/pspw/analysis/orb.F |
2 1 + 1 - 0 !
src/nwpw/pspw/cgsd/mmmdv1.F |
2 1 + 1 - 0 !
src/nwpw/pspw/cpsd/cpmd_qmmm_start.F |
2 1 + 1 - 0 !
src/nwpw/pspw/cpsd/cpmdv5.F |
2 1 + 1 - 0 !
src/nwpw/pspw/cpsd/fei_output.F |
2 1 + 1 - 0 !
src/nwpw/pspw/lib/psp/MOTION.F |
2 1 + 1 - 0 !
src/property/prop_input.F |
4 2 + 2 - 0 !
src/property/raman.F |
27 17 + 10 - 0 !
src/property/task_raman.F |
13 7 + 6 - 0 !
src/tce/tce_ao2e.F |
3 2 + 1 - 0 !
src/tce/tce_ao2e_disk.F |
3 2 + 1 - 0 !
src/tce/tce_ao2e_new.F |
3 2 + 1 - 0 !
src/util/GNUmakefile |
4 4 + 0 - 0 !
src/util/util_cpusec.F |
38 19 + 19 - 0 !
src/util/util_file_name.F |
4 2 + 2 - 0 !
src/util/util_random.F |
4 2 + 2 - 0 !
50 files changed, 479 insertions(+), 320 deletions(-) |
---
|