Everyone who deals withCP2K applications faces the problem of their compilation which appears to be rather challenging. Several available guides propose different compilationinstructionsbut the choice of the best one is not evident. Here we provide a guide that would allow you to develop your own CP2K build protocol.
Метки
Последние записи
- MD Practice #1 — making toy force field
- ?????? ???????????-???????????? ???????? (?????)
- ????? ????????? ?? ????????? ?????
- Compiling CP2K
- OPLS-AA patch for different types of molecules
- Reaction-diffusion systems in 2D space with python
- Constructing discrete Laplacian via sparse matrix
- All-atom automatic OPLS-AA topology generator
- Scanning PES ab initio and in MM
- Quantum chemistry information page
Комментарии
- SergGep in ?????? ?????????? ??????? ? matplot…
- web page in ?????? ???????????-???????????? ???…
- sergey in All-atom automatic OPLS-AA topology…
- ?? ????? in ?????? ???????????-???????????? ???…
- user in All-atom automatic OPLS-AA topology…
- best menu price… in ?????? ???????????-???????????? ???…
- Anggon Barua in All-atom automatic OPLS-AA topology…
- colon cancer cu… in ?????? ???????????-???????????? ???…
- game outsourcin… in ?????? ???????????-???????????? ???…
- jvaldiviezo in All-atom automatic OPLS-AA topology…