Move simulation parameters into separate data directory

svn-origin-rev: 14380
2026-07-21 06:25:15 -04:00 · 2014-10-02 15:18:16 +00:00 · 2014-10-02 15:18:16 +00:00 · 99a6473da5
commit 99a6473da5
parent 107d8425b1
1085 changed files with 2220 additions and 50811 deletions
--- a/tests/QS/ALL_BASIS_SETS
+++ b/tests/QS/ALL_BASIS_SETS
--- a/tests/QS/BASIS_ADMM
+++ b/tests/QS/BASIS_ADMM
--- a/tests/QS/BASIS_GEMINAL
+++ b/tests/QS/BASIS_GEMINAL
--- a/tests/QS/BASIS_MOLOPT
+++ b/tests/QS/BASIS_MOLOPT
--- a/tests/QS/BASIS_RI_cc-TZ
+++ b/tests/QS/BASIS_RI_cc-TZ
--- a/tests/QS/BASIS_SET
+++ b/tests/QS/BASIS_SET
--- a/tests/QS/BASIS_ZIJLSTRA
+++ b/tests/QS/BASIS_ZIJLSTRA
--- a/tests/QS/EMSL_BASIS_SETS
+++ b/tests/QS/EMSL_BASIS_SETS
--- a/tests/QS/GTH_BASIS_SETS
+++ b/tests/QS/GTH_BASIS_SETS
--- a/tests/QS/GTH_POTENTIALS
+++ b/tests/QS/GTH_POTENTIALS
--- a/tests/QS/HFX_BASIS
+++ b/tests/QS/HFX_BASIS
--- a/tests/QS/MM_POTENTIAL
+++ b/tests/QS/MM_POTENTIAL
--- a/tests/QS/NLCC_POTENTIALS
+++ b/tests/QS/NLCC_POTENTIALS
--- a/tests/QS/OT_BASIS
+++ b/tests/QS/OT_BASIS
--- a/tests/QS/POTENTIAL
+++ b/tests/QS/POTENTIAL
--- a/tests/DFTB/dftd3.dat
+++ b/tests/DFTB/dftd3.dat
--- a/tests/SCPTB/nm12_parameters.xml
+++ b/tests/SCPTB/nm12_parameters.xml
--- a/tests/DFTB/nonscc/bb
+++ b/tests/DFTB/nonscc/bb
--- a/tests/DFTB/nonscc/bc
+++ b/tests/DFTB/nonscc/bc
--- a/tests/DFTB/nonscc/bh
+++ b/tests/DFTB/nonscc/bh
--- a/tests/DFTB/nonscc/bn
+++ b/tests/DFTB/nonscc/bn
--- a/tests/DFTB/nonscc/cb
+++ b/tests/DFTB/nonscc/cb
--- a/tests/DFTB/nonscc/cc
+++ b/tests/DFTB/nonscc/cc
--- a/tests/DFTB/nonscc/cf
+++ b/tests/DFTB/nonscc/cf
--- a/tests/DFTB/nonscc/ch
+++ b/tests/DFTB/nonscc/ch
--- a/tests/DFTB/nonscc/clcl_exp
+++ b/tests/DFTB/nonscc/clcl_exp
--- a/tests/DFTB/nonscc/clk_exp
+++ b/tests/DFTB/nonscc/clk_exp
--- a/tests/DFTB/nonscc/clli_exp
+++ b/tests/DFTB/nonscc/clli_exp
--- a/tests/DFTB/nonscc/clna_exp
+++ b/tests/DFTB/nonscc/clna_exp
--- a/tests/DFTB/nonscc/cn
+++ b/tests/DFTB/nonscc/cn
--- a/tests/DFTB/nonscc/co
+++ b/tests/DFTB/nonscc/co
--- a/tests/DFTB/nonscc/csc
+++ b/tests/DFTB/nonscc/csc
--- a/tests/DFTB/nonscc/csi
+++ b/tests/DFTB/nonscc/csi
--- a/tests/DFTB/nonscc/fc
+++ b/tests/DFTB/nonscc/fc
--- a/tests/DFTB/nonscc/ff
+++ b/tests/DFTB/nonscc/ff
--- a/tests/DFTB/nonscc/fh
+++ b/tests/DFTB/nonscc/fh
--- a/tests/DFTB/nonscc/hb
+++ b/tests/DFTB/nonscc/hb
--- a/tests/DFTB/nonscc/hh
+++ b/tests/DFTB/nonscc/hh
--- a/tests/DFTB/nonscc/hh0
+++ b/tests/DFTB/nonscc/hh0
--- a/tests/DFTB/nonscc/kcl_exp
+++ b/tests/DFTB/nonscc/kcl_exp
--- a/tests/DFTB/nonscc/kk_exp
+++ b/tests/DFTB/nonscc/kk_exp
--- a/tests/DFTB/nonscc/licl_exp
+++ b/tests/DFTB/nonscc/licl_exp
--- a/tests/DFTB/nonscc/lili_exp
+++ b/tests/DFTB/nonscc/lili_exp
--- a/tests/DFTB/nonscc/momo
+++ b/tests/DFTB/nonscc/momo
--- a/tests/DFTB/nonscc/mos
+++ b/tests/DFTB/nonscc/mos
--- a/tests/DFTB/nonscc/nacl_exp
+++ b/tests/DFTB/nonscc/nacl_exp
--- a/tests/DFTB/nonscc/nana_exp
+++ b/tests/DFTB/nonscc/nana_exp
--- a/tests/DFTB/nonscc/nb
+++ b/tests/DFTB/nonscc/nb
--- a/tests/DFTB/nonscc/nbnb
+++ b/tests/DFTB/nonscc/nbnb
--- a/tests/DFTB/nonscc/nbs
+++ b/tests/DFTB/nonscc/nbs
--- a/tests/DFTB/nonscc/nc
+++ b/tests/DFTB/nonscc/nc
--- a/tests/DFTB/nonscc/nh
+++ b/tests/DFTB/nonscc/nh
--- a/tests/DFTB/nonscc/nn
+++ b/tests/DFTB/nonscc/nn
--- a/tests/DFTB/nonscc/no
+++ b/tests/DFTB/nonscc/no
--- a/tests/DFTB/nonscc/nonscc_parameter
+++ b/tests/DFTB/nonscc/nonscc_parameter
--- a/tests/DFTB/nonscc/nsc
+++ b/tests/DFTB/nonscc/nsc
--- a/tests/DFTB/nonscc/nsi
+++ b/tests/DFTB/nonscc/nsi
--- a/tests/DFTB/nonscc/oc
+++ b/tests/DFTB/nonscc/oc
--- a/tests/DFTB/nonscc/oh
+++ b/tests/DFTB/nonscc/oh
--- a/tests/DFTB/nonscc/on
+++ b/tests/DFTB/nonscc/on
--- a/tests/DFTB/nonscc/oo
+++ b/tests/DFTB/nonscc/oo
--- a/tests/DFTB/nonscc/osi
+++ b/tests/DFTB/nonscc/osi
--- a/tests/DFTB/nonscc/osi-d
+++ b/tests/DFTB/nonscc/osi-d
--- a/tests/DFTB/nonscc/pp
+++ b/tests/DFTB/nonscc/pp
--- a/tests/DFTB/nonscc/scc
+++ b/tests/DFTB/nonscc/scc
--- a/tests/DFTB/nonscc/scn
+++ b/tests/DFTB/nonscc/scn
--- a/tests/DFTB/nonscc/scsc
+++ b/tests/DFTB/nonscc/scsc
--- a/tests/DFTB/nonscc/sic
+++ b/tests/DFTB/nonscc/sic
--- a/tests/DFTB/nonscc/sih
+++ b/tests/DFTB/nonscc/sih
--- a/tests/DFTB/nonscc/sih-d
+++ b/tests/DFTB/nonscc/sih-d
--- a/tests/DFTB/nonscc/sin
+++ b/tests/DFTB/nonscc/sin
--- a/tests/DFTB/nonscc/sio
+++ b/tests/DFTB/nonscc/sio
--- a/tests/DFTB/nonscc/sio-d
+++ b/tests/DFTB/nonscc/sio-d
--- a/tests/DFTB/nonscc/sisi
+++ b/tests/DFTB/nonscc/sisi
--- a/tests/DFTB/nonscc/sisi-d
+++ b/tests/DFTB/nonscc/sisi-d
--- a/tests/DFTB/nonscc/smo
+++ b/tests/DFTB/nonscc/smo
--- a/tests/DFTB/nonscc/snb
+++ b/tests/DFTB/nonscc/snb
--- a/tests/DFTB/nonscc/ss
+++ b/tests/DFTB/nonscc/ss
--- a/tests/QS/rVV10_kernel_table.dat
+++ b/tests/QS/rVV10_kernel_table.dat
--- a/tests/DFTB/scc/cc.spl
+++ b/tests/DFTB/scc/cc.spl
--- a/tests/DFTB/scc/ch.spl
+++ b/tests/DFTB/scc/ch.spl
--- a/tests/DFTB/scc/cn.spl
+++ b/tests/DFTB/scc/cn.spl
--- a/tests/DFTB/scc/co.spl
+++ b/tests/DFTB/scc/co.spl
--- a/tests/DFTB/scc/cp.spl
+++ b/tests/DFTB/scc/cp.spl
--- a/tests/DFTB/scc/cs.spl
+++ b/tests/DFTB/scc/cs.spl
--- a/tests/DFTB/scc/czn.spl
+++ b/tests/DFTB/scc/czn.spl
--- a/tests/DFTB/scc/hc.spl
+++ b/tests/DFTB/scc/hc.spl
--- a/tests/DFTB/scc/hh.spl
+++ b/tests/DFTB/scc/hh.spl
--- a/tests/DFTB/scc/hn.spl
+++ b/tests/DFTB/scc/hn.spl
--- a/tests/DFTB/scc/ho.spl
+++ b/tests/DFTB/scc/ho.spl
--- a/tests/DFTB/scc/hp.spl
+++ b/tests/DFTB/scc/hp.spl
--- a/tests/DFTB/scc/hs.spl
+++ b/tests/DFTB/scc/hs.spl
--- a/tests/DFTB/scc/hzn.spl
+++ b/tests/DFTB/scc/hzn.spl
--- a/tests/DFTB/scc/nc.spl
+++ b/tests/DFTB/scc/nc.spl
--- a/tests/DFTB/scc/nh.spl
+++ b/tests/DFTB/scc/nh.spl
--- a/tests/DFTB/scc/nn.spl
+++ b/tests/DFTB/scc/nn.spl
--- a/tests/DFTB/scc/no.spl
+++ b/tests/DFTB/scc/no.spl
--- a/tests/DFTB/scc/np.spl
+++ b/tests/DFTB/scc/np.spl
--- a/tests/DFTB/scc/ns.spl
+++ b/tests/DFTB/scc/ns.spl
--- a/tests/DFTB/scc/nzn.spl
+++ b/tests/DFTB/scc/nzn.spl
--- a/Show more
+++ b/Show more