文件名称:CPV
介绍说明--下载内容来自于网络,使用问题请自行百度
分子动力学工具cp,完整代码,包含makefile-Molecular dynamics tool cp, complete code, including the makefile
(系统自动生成,下载前可以参看下载内容)
下载文件列表
CPV/
CPV/atoms_type.f90
CPV/berry_phase.f90
CPV/berryion.f90
CPV/bforceion.f90
CPV/cell_nose.f90
CPV/cg.f90
CPV/cg_sub.f90
CPV/cglib.f90
CPV/chargedensity.f90
CPV/cp_autopilot.f90
CPV/cp_emass.f90
CPV/cp_interfaces.f90
CPV/cp_restart.f90
CPV/cplib.f90
CPV/cplib_meta.f90
CPV/cpr.f90
CPV/cpr_mod.f90
CPV/cprstart.f90
CPV/dealloc.f90
CPV/dforceb.f90
CPV/efermi.f90
CPV/efield.f90
CPV/eigs0.f90
CPV/electrons.f90
CPV/electrons_nose.f90
CPV/ensemble_dft.f90
CPV/entropy.f90
CPV/exch_corr.f90
CPV/fft.f90
CPV/forces.f90
CPV/fpmdpp.f90
CPV/fromscra.f90
CPV/gradrho.f90
CPV/gram.f90
CPV/gtable.f90
CPV/gvecw.f90
CPV/init.f90
CPV/init_run.f90
CPV/inner_loop_cold.f90
CPV/input.f90
CPV/ions_nose.f90
CPV/ions_positions.f90
CPV/ksstates.f90
CPV/main_loops.f90
CPV/mainvar.f90
CPV/make.depend
CPV/Makefile
CPV/makov_payne.f90
CPV/metaxc.f90
CPV/modules.f90
CPV/move_electrons.f90
CPV/newd.f90
CPV/nl_base.f90
CPV/nlcc.f90
CPV/ortho.f90
CPV/ortho_base.f90
CPV/phasefactor.f90
CPV/plugin_forces.f90
CPV/plugin_initialization.f90
CPV/polarization.f90
CPV/potentials.f90
CPV/pres_ai_mod.f90
CPV/print_out.f90
CPV/problem_size.f90
CPV/pseudo_base.f90
CPV/pseudopot.f90
CPV/pseudopot_sub.f90
CPV/qmatrixd.f90
CPV/qqberry.f90
CPV/read_pseudo.f90
CPV/restart.f90
CPV/restart_sub.f90
CPV/runcp.f90
CPV/smallbox.f90
CPV/smallbox_grid.f90
CPV/smallbox_gvec.f90
CPV/smallbox_lib.f90
CPV/smallbox_subs.f90
CPV/spline.f90
CPV/stop_run.f90
CPV/stress.f90
CPV/vofrho.f90
CPV/vol_clu.f90
CPV/wannier.f90
CPV/wannier_base.f90
CPV/wave.f90
CPV/wave_types.f90
CPV/wf.f90
CPV/atoms_type.f90
CPV/berry_phase.f90
CPV/berryion.f90
CPV/bforceion.f90
CPV/cell_nose.f90
CPV/cg.f90
CPV/cg_sub.f90
CPV/cglib.f90
CPV/chargedensity.f90
CPV/cp_autopilot.f90
CPV/cp_emass.f90
CPV/cp_interfaces.f90
CPV/cp_restart.f90
CPV/cplib.f90
CPV/cplib_meta.f90
CPV/cpr.f90
CPV/cpr_mod.f90
CPV/cprstart.f90
CPV/dealloc.f90
CPV/dforceb.f90
CPV/efermi.f90
CPV/efield.f90
CPV/eigs0.f90
CPV/electrons.f90
CPV/electrons_nose.f90
CPV/ensemble_dft.f90
CPV/entropy.f90
CPV/exch_corr.f90
CPV/fft.f90
CPV/forces.f90
CPV/fpmdpp.f90
CPV/fromscra.f90
CPV/gradrho.f90
CPV/gram.f90
CPV/gtable.f90
CPV/gvecw.f90
CPV/init.f90
CPV/init_run.f90
CPV/inner_loop_cold.f90
CPV/input.f90
CPV/ions_nose.f90
CPV/ions_positions.f90
CPV/ksstates.f90
CPV/main_loops.f90
CPV/mainvar.f90
CPV/make.depend
CPV/Makefile
CPV/makov_payne.f90
CPV/metaxc.f90
CPV/modules.f90
CPV/move_electrons.f90
CPV/newd.f90
CPV/nl_base.f90
CPV/nlcc.f90
CPV/ortho.f90
CPV/ortho_base.f90
CPV/phasefactor.f90
CPV/plugin_forces.f90
CPV/plugin_initialization.f90
CPV/polarization.f90
CPV/potentials.f90
CPV/pres_ai_mod.f90
CPV/print_out.f90
CPV/problem_size.f90
CPV/pseudo_base.f90
CPV/pseudopot.f90
CPV/pseudopot_sub.f90
CPV/qmatrixd.f90
CPV/qqberry.f90
CPV/read_pseudo.f90
CPV/restart.f90
CPV/restart_sub.f90
CPV/runcp.f90
CPV/smallbox.f90
CPV/smallbox_grid.f90
CPV/smallbox_gvec.f90
CPV/smallbox_lib.f90
CPV/smallbox_subs.f90
CPV/spline.f90
CPV/stop_run.f90
CPV/stress.f90
CPV/vofrho.f90
CPV/vol_clu.f90
CPV/wannier.f90
CPV/wannier_base.f90
CPV/wave.f90
CPV/wave_types.f90
CPV/wf.f90
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