Index of /QUIP/src/FilePot_drivers/cp2k_driver/


../
benchmark_job/                                     17-Apr-2026 09:11                   -
silica_benchmark/                                  17-Apr-2026 09:11                   -
BASIS_SET                                          17-Apr-2026 09:11              193864
H2O32_300K.xyz                                     17-Apr-2026 09:11               11054
MM_POTENTIAL                                       17-Apr-2026 09:11                 671
POTENTIAL                                          17-Apr-2026 09:11               73844
README                                             17-Apr-2026 09:11                2391
aala.xyz                                           17-Apr-2026 09:11                 999
all_res.CHARMM.lib                                 17-Apr-2026 09:11              167880
charmm.pot                                         17-Apr-2026 09:11              164105
charmm.pot.nonbonded_1_4_scale                     17-Apr-2026 09:11                  31
charmm.pot.nonbonded_1_4_scale_methyl_chloride     17-Apr-2026 09:11                  31
charmm.pot.nonbonded_1_4_scale_silica              17-Apr-2026 09:11                  31
charmm.pot_methyl_chloride                         17-Apr-2026 09:11              164701
charmm.pot_silica                                  17-Apr-2026 09:11              130028
cp2k_colvar_restraint_constraint_print.patch       17-Apr-2026 09:11               10450
cp2k_colvar_restraint_constraint_print_new.patch   17-Apr-2026 09:11               10634
cp2k_exyz.patch.OUTDATED                           17-Apr-2026 09:11               16697
cp2k_exyz_new.patch                                17-Apr-2026 09:11               18870
cp2k_fft_lib.patch                                 17-Apr-2026 09:11                1924
cp2k_input.template                                17-Apr-2026 09:11                9260
cp2k_input.template2                               17-Apr-2026 09:11                2321
cp2k_input_silica_bks.template                     17-Apr-2026 09:11                3424
cp2k_motion_utils.F.patch                          17-Apr-2026 09:11                4181
cp2k_npt_y_new.patch                               17-Apr-2026 09:11               61861
cp2k_reftraj.patch                                 17-Apr-2026 09:11                7700
cp2k_silica.patch                                  17-Apr-2026 09:11              227900
cp2k_silica_example.inp                            17-Apr-2026 09:11              315909
cp2k_silica_new.patch                              17-Apr-2026 09:11              122503
cp2k_speed.patch                                   17-Apr-2026 09:11               86555
cp2k_speed.patch.outdated                          17-Apr-2026 09:11               37499
cp2k_speed_new.patch                               17-Apr-2026 09:11                9025
cp2k_topology_pdb.F.patch.OUTDATED                 17-Apr-2026 09:11                3550
cp2k_wfn_read.patch                                17-Apr-2026 09:11                1589
diala_zw.xyz                                       17-Apr-2026 09:11                 764
examples.sh                                        17-Apr-2026 09:11                1621
link.template                                      17-Apr-2026 09:11                 477
make_current_diffs                                 17-Apr-2026 09:11                 818
patch_cp2k_silica.sh                               17-Apr-2026 09:11                 927
qmlist.dat                                         17-Apr-2026 09:11                 116
reference_test_silica.tar.gz                       17-Apr-2026 09:11             1717764
top_all22_prot_cmap.inp                            17-Apr-2026 09:11               71188